data_1vej_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 1vej _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 ' 30' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -63.02 -38.38 90.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' CA ' HD11 ' A' ' 58' ' ' ILE . 6.8 mp0 -52.33 -59.3 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 48' ' ' LEU . 2.9 mt -45.91 -41.09 11.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.19 -36.09 81.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.7 mp0 -61.78 -59.51 5.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.2 mt -49.86 -33.95 18.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -60.2 -14.42 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 -37.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 31.1 mt -56.87 -42.17 79.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 40.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -145.5 -161.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.67 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.428 ' CG ' ' CB ' ' A' ' 46' ' ' ALA . 52.2 t-20 -60.14 84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 33.1 ttp180 -50.14 -60.45 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.93 -53.67 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 43' ' ' ASN . . . -63.01 -44.56 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 77.6 m-20 -56.94 -37.5 71.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.3 tp -72.49 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -36.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.86 -49.04 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.01 -59.97 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.6 m -51.43 -31.65 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.65 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.5 p -101.58 21.16 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 69.3 21.65 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 22.33 48.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -89.98 90.25 8.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 6.0 tt -44.17 -44.68 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -47.73 -59.67 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -66.72 -25.88 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' CB ' ' HG ' ' A' ' 51' ' ' LEU . . . -67.35 -44.53 78.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 65' ' ' LEU . 58.1 mt -51.09 -66.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.9 pt-20 -43.41 -46.56 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.3 mmm -65.49 -32.81 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 28.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -66.27 -37.95 86.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -51.32 -57.87 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.0 mt -47.98 -41.12 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.19 -39.5 89.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.11 -60.12 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.14 -37.6 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -59.23 -14.25 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.25 -39.23 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 36.3 mt -54.5 -42.78 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.86 40.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 23.9 m-85 -147.13 -156.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.96 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -44.91 96.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 4.9 ttm180 -63.26 -45.89 89.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -50.17 74.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.44 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 91.5 m-20 -56.99 -39.48 74.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.6 tp -70.59 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -36.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -51.03 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -52.43 -59.39 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 m -52.83 -26.07 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.97 -38.03 64.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 8.5 p -91.36 9.05 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.7 t70 80.19 7.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . 101.71 38.48 3.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -104.6 84.37 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.7 tt -40.35 -42.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -54.07 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.595 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -64.23 -22.53 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -69.51 -41.75 75.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' LEU . 42.4 mt -51.37 -67.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -42.25 -47.43 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.7 mmm -62.73 -35.52 80.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 13.5 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -58.78 -39.56 81.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' CB ' HD12 ' A' ' 58' ' ' ILE . 16.8 mp0 -53.47 -59.97 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.9 mt -48.22 -39.33 20.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.46 -37.26 77.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.6 -59.67 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.21 -37.93 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -59.16 -14.47 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 26.4 mt -55.78 -42.0 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.07 40.5 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.3 m-85 -145.74 -158.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.0 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -43.22 97.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.74 -41.88 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -49.13 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.63 94.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 84.6 m-20 -57.88 -41.65 82.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.0 tp -67.53 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -38.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.36 -52.32 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -51.01 -61.12 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 m -51.57 -30.95 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -39.85 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 9.9 p -88.37 8.62 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 74.7 21.41 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.21 13.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.62 76.71 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 32' ' ' GLU . 4.6 tt -41.19 -34.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.75 -58.04 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.625 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.19 -24.89 64.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.85 86.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.504 HG12 ' CE2' ' A' ' 41' ' ' PHE . 20.0 mt -52.09 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.6 pt-20 -44.33 -46.11 9.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.08 -29.01 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ILE . 12.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.15 -38.05 87.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -56.09 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.9 mt -51.24 -39.27 56.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.17 -38.78 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.97 -58.89 6.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -49.67 -36.87 26.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -60.17 -13.34 11.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.98 -38.52 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 24.8 mt -56.14 -42.0 76.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 40.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 31.3 m-85 -145.82 -158.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.0 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -42.93 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 4.2 ttm180 -65.77 -44.64 85.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.79 -47.59 85.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.4 83.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 89.9 m-20 -57.93 -36.03 71.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.5 tp -74.01 -61.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -36.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.15 -51.26 10.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 58' ' ' ILE . 1.1 mt -48.71 -60.35 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.35 -23.63 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.03 -28.44 60.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.469 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 23.5 p -104.61 7.31 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.5 t0 79.34 20.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.26 40.26 5.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -107.92 89.45 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 51' ' ' LEU . 5.6 tt -49.82 -38.23 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -56.37 -57.26 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.91 -21.48 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -70.32 -40.16 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.532 HG12 ' CE2' ' A' ' 41' ' ' PHE . 25.3 mt -51.04 -67.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -42.91 -47.9 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.1 -33.15 73.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' ILE . 14.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.72 -42.76 93.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.0 mp0 -52.08 -59.38 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.9 mt -45.65 -41.68 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.36 -36.69 79.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -59.57 -59.57 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.584 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.1 mt -49.85 -35.85 24.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -59.64 -14.85 15.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.5 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 45.7 mt -54.5 -42.23 70.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.84 39.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.9 m-85 -143.96 -160.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -173.19 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 2.5 m120 -39.64 98.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 3.4 ttm180 -67.3 -45.02 77.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -45.22 89.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -66.85 -47.97 70.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.482 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 67.3 m-20 -53.34 -39.28 63.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 33' ' ' LEU . 4.3 tp -69.37 -63.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -38.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.71 -50.9 10.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -50.29 -57.06 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -57.76 -23.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.85 55.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -90.32 7.25 39.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.17 22.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.92 26.87 25.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.6 m-20 -99.83 78.6 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -40.15 -33.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -58.45 -57.84 11.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.8 -14.1 61.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.77 -38.23 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 41' ' ' PHE . 11.8 mt -52.72 -65.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.32 -48.53 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.2 mmm -61.41 -34.03 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' ILE . 10.4 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -69.55 -34.98 74.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -50.23 -55.82 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD2' ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -50.82 -38.59 49.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.4 mp0 -63.73 -59.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.5 mt -49.99 -33.88 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.38 -13.91 15.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.63 -36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 32.5 mt -57.32 -41.86 80.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.12 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.2 m-85 -145.74 -161.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.63 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.89 88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CG ' ' CD2' ' A' ' 33' ' ' LEU . 43.3 ttp180 -53.1 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.39 -49.71 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.65 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.493 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 83.5 m-20 -58.42 -40.0 81.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.2 tp -69.66 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.08 -35.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.77 -48.58 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -54.72 -56.99 13.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.8 m -54.33 -29.72 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.54 72.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 11.1 p -92.44 5.74 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.4 t0 77.98 25.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.69 32.65 23.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.16 83.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 5.3 tt -40.57 -38.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -53.49 -58.51 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -13.0 61.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.03 -43.24 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 33.7 mt -50.56 -61.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.24 -48.55 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 mmm -63.82 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.8 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.26 -43.6 97.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -49.15 -56.21 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 3.0 mt -49.93 -40.19 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.92 -38.44 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -60.07 -59.34 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.1 -37.72 22.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.11 -14.1 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.49 -38.46 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 27.8 mt -55.8 -42.28 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.32 40.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 24.3 m-85 -146.95 -157.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 177.38 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -53.99 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 43.1 ttp180 -57.85 -62.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.44 -45.53 3.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.54 67.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 79.9 m-20 -57.2 -36.54 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 33' ' ' LEU . 4.1 tp -72.91 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -34.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.09 -48.25 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.7 mt -52.73 -55.26 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.8 m -58.78 -26.67 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.14 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.41 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 47.5 p -106.08 12.65 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t0 75.06 18.24 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.36 36.44 6.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 61' ' ' ALA . 7.8 t0 -104.18 81.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 12.0 tt -39.91 -45.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.57 -57.81 8.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.32 -22.02 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.521 HG12 ' CE2' ' A' ' 41' ' ' PHE . 28.7 mt -51.96 -67.0 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 11.9 pt-20 -41.8 -48.17 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmm -62.25 -36.58 82.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 10.0 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.06 -46.38 84.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.99 -58.15 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 4.9 mt -46.67 -41.25 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.05 -37.55 81.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.5 mp0 -61.04 -58.85 6.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -49.8 -36.77 27.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.71 -14.47 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -112.83 -39.36 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 45.2 mt -54.2 -42.83 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.63 39.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 35.5 m-85 -144.42 -160.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.22 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.47 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.89 -42.66 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.95 -53.98 52.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.14 91.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 72.5 m-20 -55.31 -34.68 64.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.1 tp -75.92 -61.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -33.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.21 -47.47 12.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 58' ' ' ILE . 1.6 mt -54.12 -53.33 54.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -61.84 -20.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.59 -28.34 45.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -102.64 12.81 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.24 16.72 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.65 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.8 t70 -122.75 77.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tt -39.16 -41.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -55.22 -56.89 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.589 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -70.79 -22.53 62.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.86 -42.62 73.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.447 HG12 ' CE2' ' A' ' 41' ' ' PHE . 18.8 mt -48.22 -67.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.3 pt-20 -44.28 -47.15 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.5 mtp -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 8.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' CA ' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.27 -56.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.4 mt -49.0 -40.72 31.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.6 mp0 -60.19 -59.67 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -49.83 -36.32 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -59.46 -14.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.12 -39.19 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 40.6 mt -54.78 -42.56 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 40.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.6 m-85 -145.69 -158.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.89 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -40.24 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.507 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 7.8 ttm180 -64.95 -49.7 69.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.08 -46.15 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -66.43 -44.76 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 91.3 m-20 -57.43 -39.83 77.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.5 tp -69.97 -63.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -36.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.26 -45.7 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 36' ' ' LEU . 1.6 mt -55.72 -56.41 20.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 m -57.31 -29.86 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -25.93 67.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 50.1 p -106.38 7.89 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 80.23 10.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.38 44.79 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ILE . 11.2 t0 -111.39 81.48 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.433 HD11 ' CA ' ' A' ' 32' ' ' GLU . 6.4 tt -40.1 -37.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -58.64 -60.64 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -67.85 -22.52 65.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.38 -39.57 77.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.487 HG12 ' CE2' ' A' ' 41' ' ' PHE . 23.1 mt -52.21 -67.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.6 pt-20 -41.8 -47.11 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.5 mmm -63.05 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ILE . 22.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -63.88 -42.23 97.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -49.5 -53.13 24.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.6 mt -54.2 -37.86 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.95 -38.28 79.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.1 mt -49.61 -36.36 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.44 -13.38 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.97 -37.85 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.7 mt -56.73 -41.78 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.67 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 36.2 m-85 -144.99 -161.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.14 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -55.8 89.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 42.8 ttp85 -56.47 -62.32 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.403 ' OD1' ' NH2' ' A' ' 44' ' ' ARG . 1.2 m-20 -41.48 -47.3 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.75 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 77.2 m-20 -55.84 -43.15 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 tp -65.96 -64.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -38.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.12 -52.18 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.5 mt -49.64 -61.26 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -52.87 -35.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.08 75.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 p -97.69 15.38 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t0 74.98 4.32 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . 104.38 39.74 2.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -106.43 80.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.412 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.9 tt -41.97 -38.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -57.6 -48.57 79.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -75.48 -24.16 56.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.69 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 HG12 ' CE1' ' A' ' 41' ' ' PHE . 33.3 mt -49.05 -65.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -47.99 -47.2 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.14 -25.18 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.2 -36.06 69.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -50.14 -53.17 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.3 mt -55.98 -36.03 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.77 -40.01 76.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -60.64 -59.36 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.5 mt -50.04 -35.12 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.25 -12.75 14.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.08 -37.87 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.9 mt -56.27 -42.11 76.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.43 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' CB ' ' A' ' 65' ' ' LEU . 38.3 m-85 -145.8 -161.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.26 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.49 95.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 2.3 ttm180 -58.81 -44.87 90.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -56.48 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -55.8 -46.25 78.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 96.5 m-20 -57.19 -42.55 81.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.5 tp -68.39 -62.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.79 -33.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.21 -51.04 8.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -51.93 -58.78 5.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.7 m -54.48 -30.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.72 -28.45 68.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 19.4 p -104.22 6.83 35.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.68 33.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.41 42.07 23.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -111.26 86.99 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 11.1 tt -45.38 -49.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 59.9 m170 -44.75 -59.74 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.89 -22.56 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -69.14 -42.47 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 65' ' ' LEU . 36.2 mt -51.37 -65.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.7 pt-20 -42.84 -46.07 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.6 mmm -65.66 -33.53 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.562 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.2 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -68.51 -36.34 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -51.74 -55.33 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.9 mt -52.15 -38.76 58.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.85 -38.36 86.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -61.65 -59.59 4.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.77 -35.32 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -60.92 -12.76 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.15 -37.8 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 25.6 mt -56.07 -42.43 76.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.4 40.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -147.65 -158.71 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 176.99 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 46' ' ' ALA . 55.0 t-20 -59.39 84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 1.2 ttm105 -47.21 -47.11 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -64.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . . . -50.39 -46.88 56.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 90.7 m-20 -54.69 -44.82 73.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.4 tp -67.81 -62.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -37.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.98 -42.97 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 36' ' ' LEU . 1.5 mt -59.16 -57.65 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -54.2 -36.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -25.58 66.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 65.1 p -106.98 9.08 30.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.08 22.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 38.38 7.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 5.5 t0 -104.79 89.53 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.437 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 11.1 tt -45.66 -44.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -54.3 -62.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -14.15 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -81.98 -43.81 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.4 ' CD1' HD13 ' A' ' 39' ' ' LEU . 28.6 mt -48.06 -59.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -45.77 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.1 mtp -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -70.45 -35.21 73.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -49.85 -53.55 24.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.3 mt -54.57 -38.07 66.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 3.3 mt-10 -67.41 -39.69 85.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -60.85 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.55 -34.88 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.0 tttt -60.62 -13.53 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.55 -37.63 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 62' ' ' ILE . 24.1 mt -56.03 -42.45 76.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.43 40.36 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.6 m-85 -146.74 -159.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.87 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -47.39 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 10.2 ttm180 -56.87 -46.91 81.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.46 -57.15 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -56.17 -47.06 79.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 95.0 m-20 -56.21 -40.72 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 tp -70.09 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -33.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.15 -49.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -53.45 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.03 -27.59 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.43 -34.55 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 10.0 p -95.7 5.8 50.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.0 t0 78.49 25.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.98 50.28 4.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 3.4 t70 -119.4 85.01 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tt -40.92 -46.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -49.97 -62.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.608 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -66.17 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -72.64 -45.54 58.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.426 ' CD1' HD11 ' A' ' 39' ' ' LEU . 48.2 mt -49.38 -63.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 14.9 pt-20 -44.35 -47.48 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.5 mmm -64.77 -35.15 80.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 20.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.95 -35.12 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' CA ' HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.22 -56.01 12.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.3 mt -49.95 -39.35 40.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.18 -35.42 76.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -62.06 -59.38 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -50.03 -33.99 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -60.05 -14.49 16.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.91 -37.7 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 62' ' ' ILE . 36.3 mt -55.96 -42.2 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.84 40.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -145.71 -161.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.23 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.6 t-20 -54.43 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.485 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 19.0 ttp-105 -52.99 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.16 -49.4 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -62.05 -49.05 77.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 66.4 m-20 -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.3 tp -67.88 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -34.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.53 14.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mt -56.04 -55.63 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.31 -26.85 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.69 -29.0 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 17.0 p -102.13 1.27 36.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t0 79.94 36.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.48 8.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.19 82.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 HD11 ' CA ' ' A' ' 32' ' ' GLU . 4.3 tt -41.89 -49.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.435 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 62.5 m-70 -46.47 -57.33 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.78 -22.67 64.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.48 -47.87 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.452 ' CD1' HD12 ' A' ' 39' ' ' LEU . 34.9 mt -48.07 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -45.41 -47.85 13.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -64.25 -34.44 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.61 -38.16 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 12.0 mp0 -49.78 -56.26 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -50.31 -39.52 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.2 mt-10 -68.04 -37.36 81.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.43 -59.27 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.58 -35.54 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 15.8 ttmt -60.48 -13.3 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.56 -37.57 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.8 mt -56.82 -41.88 78.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE1' ' CB ' ' A' ' 65' ' ' LEU . 33.2 m-85 -146.76 -159.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.71 -57.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.452 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -42.83 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.64 -47.07 87.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -53.95 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -59.36 -43.52 92.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 75.4 m-20 -58.64 -41.07 85.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.7 tp -70.05 -62.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -38.72 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . -83.94 -49.89 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.3 mt -52.09 -57.33 9.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.93 -26.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.63 64.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 39.9 p -104.86 6.04 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 79.56 36.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.61 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.16 90.16 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.404 ' N ' HD22 ' A' ' 51' ' ' LEU . 7.5 tt -48.66 -47.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 38.3 m-70 -44.38 -58.69 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.469 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.86 -23.3 64.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.69 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' A' ' 65' ' ' LEU . 62.2 mt -52.0 -65.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -43.2 -46.6 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -65.29 -32.08 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.573 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.49 -33.08 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.427 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.35 -54.16 23.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.2 mt -52.05 -39.83 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.18 -41.24 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -57.77 -60.02 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.579 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.53 -38.13 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -59.37 -13.93 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.17 -39.1 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 27.4 mt -54.88 -42.51 72.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.76 39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 23.2 m-85 -147.61 -154.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 111.063 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 178.52 -55.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.425 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 4.7 t-20 -40.27 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 6.4 ttm180 -62.91 -46.47 87.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -51.0 71.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -62.18 -42.61 99.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.482 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 89.9 m-20 -60.11 -42.9 95.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.6 tp -68.26 -62.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -34.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -51.56 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.3 mt -52.01 -60.38 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.87 -27.87 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.43 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 16.0 p -88.89 7.3 35.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.392 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.7 OUTLIER 75.34 33.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 36.11 20.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ALA . 1.6 t0 -103.38 90.11 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 32' ' ' GLU . 8.0 tt -54.38 -41.23 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -55.44 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.45 -26.02 65.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -66.15 -42.57 88.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 HG12 ' CE2' ' A' ' 41' ' ' PHE . 21.8 mt -50.34 -68.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.1 pt-20 -43.83 -45.7 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.4 mtp -63.28 -33.15 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' ILE . 24.6 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -64.19 -37.09 86.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -51.67 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -47.51 -40.25 18.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.48 -38.44 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -59.61 -59.13 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -49.52 -37.59 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -59.4 -14.02 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.11 -39.04 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 26.3 mt -55.18 -42.39 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 28.5 m-85 -145.91 -157.96 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.57 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ALA . 5.1 t-20 -40.15 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.507 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 3.6 ttm180 -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -50.0 74.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.39 95.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.6 m-20 -61.0 -38.58 86.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 33' ' ' LEU . 4.2 tp -71.55 -62.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -36.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' CE ' ' A' ' 64' ' ' MET . . . -78.73 -50.19 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD21 ' N ' ' A' ' 58' ' ' ILE . 1.2 mt -50.36 -59.92 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 m -54.65 -28.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -69.72 -31.32 69.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.2 p -102.73 14.82 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.54 31.62 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.12 24.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -103.5 83.54 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.431 ' N ' HD21 ' A' ' 51' ' ' LEU . 13.3 tt -47.19 -36.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -58.71 -57.4 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.578 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.16 61.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -77.97 -38.76 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.501 HG12 ' CE2' ' A' ' 41' ' ' PHE . 18.8 mt -52.06 -66.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.2 -45.4 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 1.9 mtp -63.45 -31.34 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ILE . 26.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.49 -41.82 70.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.53 -56.18 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -52.3 -38.57 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.5 -39.49 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -60.58 -59.59 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.2 mt -49.54 -35.58 20.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -61.28 -13.04 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.49 -37.9 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.9 mt -56.16 -42.08 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.41 40.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 42.1 m-85 -144.5 -163.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -175.47 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -55.07 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 2.5 ttm180 -58.66 -43.6 89.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.51 -55.24 37.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.61 80.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.2 m-20 -53.64 -42.87 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 33' ' ' LEU . 3.8 tp -66.47 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -36.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.16 -49.66 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 36' ' ' LEU . 1.4 mt -53.49 -56.39 17.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 m -57.34 -33.35 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 p -99.95 -1.19 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t70 82.15 26.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.18 6.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -109.34 76.97 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 12.0 tt -40.33 -47.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -51.41 -51.16 57.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -73.32 -20.9 60.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -72.58 -47.37 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.8 mt -45.62 -62.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.6 pt-20 -48.84 -47.15 42.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.427 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 56.8 mtp -64.65 -30.54 71.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 8.4 mt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.76 -37.66 86.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -56.8 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -49.9 -40.2 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.65 -39.01 88.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.43 -59.94 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.58 -36.32 23.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -60.35 -13.75 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.74 -38.41 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 26.4 mt -55.52 -42.09 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.0 m-85 -146.74 -158.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.53 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.75 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 4.6 ttm180 -57.4 -45.02 85.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.56 -57.9 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.5 86.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 92.7 m-20 -56.66 -40.34 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD12 ' CD2' ' A' ' 33' ' ' LEU . 4.3 tp -71.25 -62.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -36.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.38 -49.3 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.8 mt -52.59 -55.47 22.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.91 -28.25 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.19 -27.75 64.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 14.2 p -99.9 4.4 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t70 81.26 14.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.76 32.01 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 84.86 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 5.5 tt -43.21 -48.21 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -46.09 -54.42 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -71.92 -23.56 61.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.14 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' LEU . 36.5 mt -51.14 -68.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.5 pt-20 -41.52 -47.05 3.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 mmm -63.55 -36.77 84.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -61.58 -40.14 93.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' CB ' HD12 ' A' ' 58' ' ' ILE . 11.2 mp0 -49.34 -58.01 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.5 mt -49.23 -40.14 32.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.75 -39.19 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -58.82 -59.69 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -49.73 -36.64 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -60.16 -13.55 12.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.95 -38.81 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 25.3 mt -55.43 -42.15 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 26.4 m-85 -146.62 -157.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.37 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -43.31 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 6.1 ttm180 -65.35 -44.97 86.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -48.81 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.89 81.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 92.1 m-20 -55.86 -37.37 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.8 tp -72.61 -61.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -36.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.73 -50.9 10.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -49.54 -58.46 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.81 -22.07 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.9 -28.14 55.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.401 ' CG2' ' SD ' ' A' ' 64' ' ' MET . 53.7 p -105.89 14.37 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.63 28.54 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 41.03 9.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ALA . 1.8 t0 -107.9 89.99 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' N ' HD22 ' A' ' 51' ' ' LEU . 6.5 tt -51.4 -34.55 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -61.61 -53.36 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.03 -14.13 60.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -79.16 -39.76 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 41' ' ' PHE . 21.5 mt -50.03 -65.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -46.12 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.401 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 68.2 mtp -63.96 -29.42 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 16.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -165.26 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 0.728 . . . . 0.0 109.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -122.11 168.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.26 118.85 2.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.94 141.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -118.39 150.84 38.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.0 -75.45 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.49 93.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? 59.12 169.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.96 116.33 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 67.2 126.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -166.49 89.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 14' ' ' SER . 2.1 tt0 -75.3 144.24 42.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 27.3 t -128.86 91.1 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.8 142.88 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -164.51 -66.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -84.25 -21.63 31.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.52 152.54 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mp -130.42 153.66 81.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 HG22 ' CD1' ' A' ' 24' ' ' PHE . 2.7 m -102.31 121.43 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 p -70.38 -33.25 71.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.49 29.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.479 ' CD1' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -112.31 -7.48 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -114.46 -21.05 10.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.51 -1.28 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.17 -8.7 9.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -91.9 -59.46 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 2.4 m-85 -108.38 41.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -58.82 -48.53 80.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -63.02 -38.38 90.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' CA ' HD11 ' A' ' 58' ' ' ILE . 6.8 mp0 -52.33 -59.3 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 48' ' ' LEU . 2.9 mt -45.91 -41.09 11.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.19 -36.09 81.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.7 mp0 -61.78 -59.51 5.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.2 mt -49.86 -33.95 18.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -60.2 -14.42 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 -37.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 31.1 mt -56.87 -42.17 79.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 40.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -145.5 -161.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.67 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.428 ' CG ' ' CB ' ' A' ' 46' ' ' ALA . 52.2 t-20 -60.14 84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 33.1 ttp180 -50.14 -60.45 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.93 -53.67 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 43' ' ' ASN . . . -63.01 -44.56 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.491 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 77.6 m-20 -56.94 -37.5 71.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.3 tp -72.49 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -36.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.86 -49.04 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.01 -59.97 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.6 m -51.43 -31.65 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.56 -31.65 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 51' ' ' LEU . 7.5 p -101.58 21.16 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 69.3 21.65 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 86.21 22.33 48.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -89.98 90.25 8.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 6.0 tt -44.17 -44.68 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -47.73 -59.67 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -66.72 -25.88 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' CB ' ' HG ' ' A' ' 51' ' ' LEU . . . -67.35 -44.53 78.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 66' ' ' LEU . 58.1 mt -51.09 -66.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.9 pt-20 -43.41 -46.56 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.3 mmm -65.49 -32.81 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 28.9 mt -85.61 -13.15 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.9 mt -79.08 -16.44 56.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.19 32.92 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.73 63.81 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -61.53 -65.9 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.95 -85.69 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.31 41.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 t -139.48 154.4 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.2 p -173.53 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -103.96 -46.46 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -62.9 97.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.69 141.51 6.07 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.89 154.92 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -84.18 157.28 21.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.52 78.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.66 150.82 26.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.38 141.74 47.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 116.84 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -174.77 130.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.23 86.52 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -146.23 167.55 23.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 m -136.61 -54.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.43 163.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -134.43 -54.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.478 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 47.9 m 53.56 -102.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 17' ' ' THR . . . 82.48 135.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -130.5 154.47 81.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.95 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.467 ' CG2' ' HB2' ' A' ' 24' ' ' PHE . 1.3 m -115.01 124.0 50.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 p -69.05 -29.4 67.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp -91.48 22.35 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.467 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.44 -4.95 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.1 p -112.37 -20.97 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 6.7 mt-10 -90.27 12.44 18.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.53 -33.08 1.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.143 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.42 -67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.6 m-85 -94.32 41.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.4 -46.07 87.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -66.27 -37.95 86.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -51.32 -57.87 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.0 mt -47.98 -41.12 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.19 -39.5 89.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.11 -60.12 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.587 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.14 -37.6 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -59.23 -14.25 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.25 -39.23 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 36.3 mt -54.5 -42.78 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.86 40.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 23.9 m-85 -147.13 -156.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.96 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -44.91 96.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 4.9 ttm180 -63.26 -45.89 89.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -50.17 74.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.44 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.476 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 91.5 m-20 -56.99 -39.48 74.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 4.6 tp -70.59 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -36.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.12 -51.03 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -52.43 -59.39 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.5 m -52.83 -26.07 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.97 -38.03 64.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 8.5 p -91.36 9.05 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.7 t70 80.19 7.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.445 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 101.71 38.48 3.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -104.6 84.37 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.7 tt -40.35 -42.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -54.07 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.595 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -64.23 -22.53 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -69.51 -41.75 75.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 66' ' ' LEU . 42.4 mt -51.37 -67.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -42.25 -47.43 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.7 mmm -62.73 -35.52 80.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 13.5 mt -80.22 -25.9 39.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD1' HG23 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -60.35 -21.63 62.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.07 18.17 6.93 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.58 -72.25 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.4 117.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.4 100.44 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 61.28 5.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.2 p -43.71 -58.5 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 t -90.9 103.78 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -67.11 158.91 29.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -127.63 -53.65 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.71 -124.8 6.02 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.8 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.014 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.03 135.85 33.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.4 -88.54 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.45 91.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.24 117.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.43 167.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.81 152.36 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 145.9 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -144.76 147.74 33.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 t -172.15 155.31 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.76 80.16 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 174.78 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -111.79 146.85 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.87 149.72 25.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -140.91 154.91 69.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' CB ' ' HB2' ' A' ' 24' ' ' PHE . 1.1 m -95.45 128.29 42.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -29.57 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.6 21.6 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.431 ' HB2' ' CB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.35 -7.34 15.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.491 ' CG2' ' CG1' ' A' ' 52' ' ' VAL . 0.9 OUTLIER -114.26 -18.04 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.4 0.33 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.92 -20.6 6.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -70.89 -69.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 28' ' ' ARG . 1.2 m-85 -100.98 48.8 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -57.35 -52.35 65.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -58.78 -39.56 81.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' CB ' HD12 ' A' ' 58' ' ' ILE . 16.8 mp0 -53.47 -59.97 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.9 mt -48.22 -39.33 20.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.46 -37.26 77.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.6 -59.67 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.554 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.21 -37.93 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -59.16 -14.47 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 26.4 mt -55.78 -42.0 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.07 40.5 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.3 m-85 -145.74 -158.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.0 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -43.22 97.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.74 -41.88 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -49.13 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.09 -43.63 94.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.489 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 84.6 m-20 -57.88 -41.65 82.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.0 tp -67.53 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -38.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.36 -52.32 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -51.01 -61.12 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.491 ' CG1' ' CG2' ' A' ' 25' ' ' THR . 35.6 m -51.57 -30.95 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.8 -39.85 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 9.9 p -88.37 8.62 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 74.7 21.41 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.21 13.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.62 76.71 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 HD12 ' CB ' ' A' ' 32' ' ' GLU . 4.6 tt -41.19 -34.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.75 -58.04 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.625 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.19 -24.89 64.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.12 -38.85 86.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.504 HG12 ' CE2' ' A' ' 41' ' ' PHE . 20.0 mt -52.09 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.6 pt-20 -44.33 -46.11 9.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.08 -29.01 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ILE . 12.0 mt -87.94 -29.62 20.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -55.61 -19.33 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.17 14.58 10.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.05 -71.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.2 m -104.53 121.4 43.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.65 155.62 8.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 70.96 5.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.1 t -171.67 123.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.16 113.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.57 -61.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -176.75 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.06 -172.7 26.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.68 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t 60.91 103.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.01 134.06 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.66 83.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.43 99.47 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.08 71.56 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.22 150.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -170.87 127.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -58.33 129.83 43.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -162.74 155.38 19.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.62 87.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.81 76.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 p -123.45 171.26 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.42 49.71 1.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mp -135.51 153.24 77.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.76 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 24' ' ' PHE . 1.6 m -83.53 130.72 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.4 p -53.74 -25.94 21.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 11.03 14.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -122.81 1.83 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -112.85 -22.9 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.0 mt-10 -88.2 8.26 27.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -115.3 -33.7 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.52 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -72.34 -69.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.331 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -94.64 41.46 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 11.1 pt20 -58.87 -47.17 85.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.15 -38.05 87.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.86 -56.09 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.9 mt -51.24 -39.27 56.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.17 -38.78 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' OE2' ' CD2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.97 -58.89 6.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -49.67 -36.87 26.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -60.17 -13.34 11.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.98 -38.52 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 24.8 mt -56.14 -42.0 76.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 40.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 31.3 m-85 -145.82 -158.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.0 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -42.93 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 4.2 ttm180 -65.77 -44.64 85.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.79 -47.59 85.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.4 83.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 89.9 m-20 -57.93 -36.03 71.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.5 tp -74.01 -61.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -36.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.15 -51.26 10.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 58' ' ' ILE . 1.1 mt -48.71 -60.35 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.35 -23.63 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.03 -28.44 60.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.469 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 23.5 p -104.61 7.31 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.5 t0 79.34 20.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 90.26 40.26 5.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -107.92 89.45 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.426 ' N ' HD23 ' A' ' 51' ' ' LEU . 5.6 tt -49.82 -38.23 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -56.37 -57.26 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.91 -21.48 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -70.32 -40.16 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.532 HG12 ' CE2' ' A' ' 41' ' ' PHE . 25.3 mt -51.04 -67.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -42.91 -47.9 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.1 -33.15 73.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' ILE . 14.1 mt -82.9 -27.52 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -59.15 -19.57 46.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.87 17.73 6.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.99 54.8 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -148.39 155.28 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.32 -83.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 100.45 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -170.89 96.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 m -158.17 -60.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.71 146.31 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 126.84 6.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.41 174.47 41.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t 56.89 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 0.0 109.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -172.97 125.63 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.99 109.06 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.86 77.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 0.706 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 149.19 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.48 143.85 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -162.67 -62.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 133.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.57 105.74 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.39 138.94 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.81 75.16 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -118.2 169.43 9.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -40.66 126.24 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 161.25 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -129.3 151.22 77.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 24' ' ' PHE . 1.1 m -92.29 127.12 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.6 m -66.16 -27.15 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -90.77 18.44 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -114.55 -2.41 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -122.41 -0.51 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -86.27 -15.55 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 -14.34 57.44 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.558 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.8 m-85 -123.65 51.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -60.6 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.72 -42.76 93.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' GLU . 3.0 mp0 -52.08 -59.38 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.9 mt -45.65 -41.68 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.36 -36.69 79.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -59.57 -59.57 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.584 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.1 mt -49.85 -35.85 24.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -59.64 -14.85 15.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.5 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 45.7 mt -54.5 -42.23 70.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.84 39.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.9 m-85 -143.96 -160.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -173.19 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.465 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 2.5 m120 -39.64 98.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.511 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 3.4 ttm180 -67.3 -45.02 77.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -45.22 89.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -66.85 -47.97 70.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.482 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 67.3 m-20 -53.34 -39.28 63.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 33' ' ' LEU . 4.3 tp -69.37 -63.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -38.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.71 -50.9 10.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -50.29 -57.06 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.3 m -57.76 -23.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.14 -35.85 55.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -90.32 7.25 39.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.17 22.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.558 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 88.92 26.87 25.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.6 m-20 -99.83 78.6 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -40.15 -33.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -58.45 -57.84 11.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.8 -14.1 61.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.235 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.77 -38.23 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.523 HG12 ' CE2' ' A' ' 41' ' ' PHE . 11.8 mt -52.72 -65.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.32 -48.53 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.2 mmm -61.41 -34.03 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' ILE . 10.4 mt -81.77 -28.13 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -56.83 -21.82 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.95 23.52 5.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.83 35.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.1 p -140.66 146.35 37.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.77 -144.94 4.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.87 30.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -98.61 131.07 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -56.48 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.82 168.64 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -166.18 158.01 13.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.21 -173.16 12.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p -177.66 150.99 0.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -152.38 159.13 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.05 174.15 31.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.51 145.58 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.53 117.02 29.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.99 -59.06 1.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 61.11 155.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -160.77 86.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -70.23 70.57 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.48 105.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -39.49 125.06 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -38.97 152.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.5 t -108.2 155.23 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 71.61 55.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.94 163.68 22.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.05 2.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' A' ' 24' ' ' PHE . 1.3 m -68.32 125.98 28.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -31.73 70.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mp -92.42 27.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.1 OUTLIER -111.55 -3.3 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.1 p -115.88 -28.18 6.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 12.4 mt-10 -88.78 13.34 12.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -117.43 -34.11 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 29.8 mtt180 -80.49 -59.15 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -101.4 39.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 8.8 pt20 -60.64 -45.68 93.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -69.55 -34.98 74.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -50.23 -55.82 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.469 ' CD2' ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -50.82 -38.59 49.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.4 mp0 -63.73 -59.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.5 mt -49.99 -33.88 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.38 -13.91 15.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.63 -36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 32.5 mt -57.32 -41.86 80.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.12 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.2 m-85 -145.74 -161.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.63 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.89 88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' CG ' ' CD2' ' A' ' 33' ' ' LEU . 43.3 ttp180 -53.1 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.39 -49.71 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -43.65 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.493 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 83.5 m-20 -58.42 -40.0 81.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.449 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 4.2 tp -69.66 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.08 -35.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.77 -48.58 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -54.72 -56.99 13.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.8 m -54.33 -29.72 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.34 -34.54 72.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.452 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 11.1 p -92.44 5.74 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.4 t0 77.98 25.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.518 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 83.69 32.65 23.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.16 83.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 5.3 tt -40.57 -38.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -53.49 -58.51 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.11 -13.0 61.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.03 -43.24 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 66' ' ' LEU . 33.7 mt -50.56 -61.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.24 -48.55 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 mmm -63.82 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.8 mt -87.67 -12.49 45.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' ILE . 39.3 mt -81.08 -16.19 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.44 33.89 2.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.48 63.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 t -133.82 161.44 34.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.9 158.72 36.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 156.12 42.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.16 131.25 10.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -49.19 133.01 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -172.54 124.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 -58.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.78 -166.85 24.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -173.11 93.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 p -171.76 -58.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.76 89.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.36 68.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 61.58 158.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.81 103.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -177.69 126.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -162.33 111.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.92 163.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -107.15 86.82 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 t 174.82 128.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -80.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m 56.54 46.98 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.56 -170.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.01 155.95 70.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.47 ' CG2' ' HB2' ' A' ' 24' ' ' PHE . 1.1 m 38.24 73.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -11.26 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.81 13.54 32.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.47 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.1 OUTLIER -110.4 -5.71 15.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -99.18 -19.95 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.92 3.94 46.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' O ' ' OE1' ' A' ' 30' ' ' GLN . . . -113.08 -32.43 2.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' NE ' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -66.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' NE ' ' A' ' 28' ' ' ARG . 2.5 m-85 -93.72 36.87 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 27' ' ' GLY . 5.1 pt20 -52.8 -45.85 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.26 -43.6 97.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -49.15 -56.21 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 3.0 mt -49.93 -40.19 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.92 -38.44 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -60.07 -59.34 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.1 -37.72 22.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.11 -14.1 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.49 -38.46 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 27.8 mt -55.8 -42.28 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.32 40.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 24.3 m-85 -146.95 -157.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 177.38 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -53.99 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 43.1 ttp180 -57.85 -62.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.44 -45.53 3.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.75 -45.54 67.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.499 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 79.9 m-20 -57.2 -36.54 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 33' ' ' LEU . 4.1 tp -72.91 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -34.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.09 -48.25 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.7 mt -52.73 -55.26 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.8 m -58.78 -26.67 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.12 -26.14 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.41 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 47.5 p -106.08 12.65 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t0 75.06 18.24 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.428 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 92.36 36.44 6.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 61' ' ' ALA . 7.8 t0 -104.18 81.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 12.0 tt -39.91 -45.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.57 -57.81 8.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.32 -22.02 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.521 HG12 ' CE2' ' A' ' 41' ' ' PHE . 28.7 mt -51.96 -67.0 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 11.9 pt-20 -41.8 -48.17 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmm -62.25 -36.58 82.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ILE . 10.0 mt -78.94 -25.2 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -61.95 -16.99 55.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.09 11.08 8.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.49 63.68 7.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -148.13 146.79 28.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.98 157.9 27.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.69 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.6 119.51 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t 62.24 125.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -95.03 84.03 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.13 152.15 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.05 151.13 51.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 65.54 119.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -153.55 101.46 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.43 135.66 9.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.45 145.73 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.05 149.03 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.42 107.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m -124.63 108.68 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.39 144.23 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -173.51 170.59 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.91 134.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -58.65 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.36 118.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -101.78 -23.49 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.46 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.74 145.93 27.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.808 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 m -76.76 119.31 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -64.43 -26.68 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.02 20.46 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.44 -0.31 11.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.9 m -123.42 -0.64 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -85.43 -15.91 41.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.38 59.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.23 -62.3 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.7 m-85 -119.58 52.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -60.31 -42.19 95.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.06 -46.38 84.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.99 -58.15 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 4.9 mt -46.67 -41.25 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.05 -37.55 81.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.5 mp0 -61.04 -58.85 6.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -49.8 -36.77 27.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.71 -14.47 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -112.83 -39.36 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 45.2 mt -54.2 -42.83 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.63 39.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 35.5 m-85 -144.42 -160.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.22 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.47 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.475 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.89 -42.66 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.95 -53.98 52.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.14 91.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 72.5 m-20 -55.31 -34.68 64.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.1 tp -75.92 -61.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -33.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.21 -47.47 12.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 58' ' ' ILE . 1.6 mt -54.12 -53.33 54.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -61.84 -20.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.59 -28.34 45.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.3 p -102.64 12.81 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.24 16.72 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.548 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 94.31 54.65 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.8 t70 -122.75 77.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.2 tt -39.16 -41.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -55.22 -56.89 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.589 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -70.79 -22.53 62.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.86 -42.62 73.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' LEU . 18.8 mt -48.22 -67.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.3 pt-20 -44.28 -47.15 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.5 mtp -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 8.3 mt -86.04 -28.87 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -56.58 -20.61 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.12 8.84 16.74 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -68.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 t -57.61 -57.83 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.08 154.13 7.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.47 12.73 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.5 p -132.46 158.66 41.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -95.99 91.03 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.799 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.88 137.36 18.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.82 123.06 8.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -163.36 166.79 22.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -63.29 136.73 57.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.75 130.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.91 100.96 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.27 154.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.11 -61.2 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -155.5 164.58 38.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -171.16 -57.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 151.34 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m 60.78 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -165.91 132.37 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 p -145.23 162.87 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 19' ' ' LEU . . . -173.54 114.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 3.4 mp 70.34 120.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.562 1.822 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 ' CB ' ' HB2' ' A' ' 24' ' ' PHE . 1.1 m -97.84 128.11 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -30.02 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.81 22.9 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' HB2' ' CB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -111.1 -4.01 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 p -111.57 -24.05 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.7 mt-10 -89.8 13.51 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.46 -36.54 0.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.3 mtt180 -71.99 -71.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.79 39.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -59.3 -47.09 86.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' CA ' HD11 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.27 -56.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.4 mt -49.0 -40.72 31.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.6 mp0 -60.19 -59.67 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.586 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -49.83 -36.32 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -59.46 -14.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.12 -39.19 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 40.6 mt -54.78 -42.56 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 40.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.6 m-85 -145.69 -158.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.89 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -40.24 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.507 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 7.8 ttm180 -64.95 -49.7 69.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.08 -46.15 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -66.43 -44.76 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 91.3 m-20 -57.43 -39.83 77.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.5 tp -69.97 -63.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -36.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.26 -45.7 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 36' ' ' LEU . 1.6 mt -55.72 -56.41 20.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 m -57.31 -29.86 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -25.93 67.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 50.1 p -106.38 7.89 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 80.23 10.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.411 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 98.38 44.79 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 58' ' ' ILE . 11.2 t0 -111.39 81.48 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.433 HD11 ' CA ' ' A' ' 32' ' ' GLU . 6.4 tt -40.1 -37.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -58.64 -60.64 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -67.85 -22.52 65.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.38 -39.57 77.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.487 HG12 ' CE2' ' A' ' 41' ' ' PHE . 23.1 mt -52.21 -67.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.6 pt-20 -41.8 -47.11 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 69' ' ' SER . 11.5 mmm -63.05 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ILE . 22.3 mt -80.07 -22.21 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 62' ' ' ILE . 0.7 OUTLIER -64.46 -19.65 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.87 8.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.81 -72.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.417 ' CB ' ' SD ' ' A' ' 64' ' ' MET . 0.5 OUTLIER -113.98 174.6 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.26 157.25 30.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.81 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.84 165.33 27.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -83.8 125.05 31.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.27 -58.52 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 47.59 95.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 132.89 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -168.27 88.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -151.8 -58.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.5 72.25 0.45 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.95 123.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.64 -55.58 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.5 161.48 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -173.25 136.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.11 129.11 9.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -179.75 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.469 ' CB ' HD12 ' A' ' 19' ' ' LEU . 84.8 p -174.41 164.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.72 80.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 50.45 84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.5 m -150.04 45.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.77 70.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 14' ' ' SER . 1.9 mp -138.05 153.36 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 101.92 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 ' CB ' ' HB2' ' A' ' 24' ' ' PHE . 1.2 m -89.99 128.52 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -30.68 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.39 24.14 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' HB2' ' CB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.41 -5.84 15.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -113.04 -22.26 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.7 mt-10 -87.15 8.17 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.16 -8.3 8.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 96.5 mtt180 -92.34 -29.69 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.1 m-85 -147.35 50.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -61.76 -45.79 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -63.88 -42.23 97.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.5 mp0 -49.5 -53.13 24.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.6 mt -54.2 -37.86 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.95 -38.28 79.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.1 mt -49.61 -36.36 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.44 -13.38 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.97 -37.85 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.7 mt -56.73 -41.78 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.67 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 36.2 m-85 -144.99 -161.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.14 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -55.8 89.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.472 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 42.8 ttp85 -56.47 -62.32 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' OD1' ' NH2' ' A' ' 44' ' ' ARG . 1.2 m-20 -41.48 -47.3 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.17 -47.75 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 77.2 m-20 -55.84 -43.15 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 3.7 tp -65.96 -64.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -38.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.12 -52.18 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLY . 1.5 mt -49.64 -61.26 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.9 m -52.87 -35.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.08 75.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.5 p -97.69 15.38 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t0 74.98 4.32 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 104.38 39.74 2.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -106.43 80.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.412 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.9 tt -41.97 -38.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -57.6 -48.57 79.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -75.48 -24.16 56.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.56 -42.69 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 HG12 ' CE1' ' A' ' 41' ' ' PHE . 33.3 mt -49.05 -65.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -47.99 -47.2 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.3 mtp -63.14 -25.18 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.1 mt -90.94 -30.22 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' ILE . 78.2 mt -59.27 -23.21 62.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 27.49 4.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.93 -74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 t -110.49 167.64 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.59 122.13 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.563 1.823 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.35 85.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.7 152.2 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -122.02 134.05 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -96.74 -57.67 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.62 59.48 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 66.81 144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.26 121.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.44 162.01 11.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.47 161.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.19 110.94 17.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.31 122.71 24.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 167.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -124.13 136.17 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.2 133.37 56.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p 179.43 134.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t 62.88 126.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 173.58 -35.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -104.42 -15.3 15.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 173.24 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -130.76 154.59 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.28 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.564 HG23 ' CD1' ' A' ' 24' ' ' PHE . 1.8 m -88.84 129.22 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -68.1 -41.51 81.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.92 39.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.564 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.0 OUTLIER -121.92 3.06 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 26' ' ' GLU . 3.5 t -139.35 -42.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' N ' HG23 ' A' ' 25' ' ' THR . 10.5 mt-10 -76.45 0.71 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -108.51 -29.56 4.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -56.75 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -99.97 35.31 2.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 10.0 pt20 -57.52 -42.58 83.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.2 -36.06 69.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -50.14 -53.17 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.3 mt -55.98 -36.03 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.77 -40.01 76.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -60.64 -59.36 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.5 mt -50.04 -35.12 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.25 -12.75 14.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.08 -37.87 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.9 mt -56.27 -42.11 76.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.43 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' CB ' ' A' ' 65' ' ' LEU . 38.3 m-85 -145.8 -161.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.26 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.49 95.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 2.3 ttm180 -58.81 -44.87 90.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -56.48 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -55.8 -46.25 78.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.478 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 96.5 m-20 -57.19 -42.55 81.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD13 ' CD2' ' A' ' 33' ' ' LEU . 4.5 tp -68.39 -62.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.79 -33.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.21 -51.04 8.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -51.93 -58.78 5.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.7 m -54.48 -30.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.72 -28.45 68.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 19.4 p -104.22 6.83 35.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.68 33.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.41 42.07 23.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -111.26 86.99 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 11.1 tt -45.38 -49.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 59.9 m170 -44.75 -59.74 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.89 -22.56 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -69.14 -42.47 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' LEU . 36.2 mt -51.37 -65.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.7 pt-20 -42.84 -46.07 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.6 mmm -65.66 -33.53 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.562 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.2 mt -85.51 -12.48 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt -80.42 -13.62 58.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.19 2.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.82 -53.17 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.85 145.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.11 -149.39 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.61 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -106.35 -51.39 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.5 p 58.5 105.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.08 168.04 27.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.67 159.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.68 -162.63 27.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -175.22 133.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -103.81 -58.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.13 163.95 11.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -165.29 134.89 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -42.41 136.74 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.75 -61.59 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.51 142.19 34.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.238 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -173.98 -59.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 39.31 74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.79 80.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -167.62 -68.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 73.52 83.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -140.66 92.33 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.26 170.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.93 162.48 57.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' THR . 18.4 Cg_endo -75.0 54.02 3.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.1 m 36.13 76.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 98.0 p -66.52 -22.16 66.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.69 2.66 25.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.41 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -114.52 -7.26 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.13 -20.33 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 4.7 mt-10 -87.6 4.12 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.29 -30.84 2.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 8.2 mtt-85 -72.98 -71.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.98 40.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.13 -44.55 92.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -68.51 -36.34 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -51.74 -55.33 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.9 mt -52.15 -38.76 58.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.85 -38.36 86.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -61.65 -59.59 4.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.77 -35.32 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -60.92 -12.76 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.15 -37.8 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 25.6 mt -56.07 -42.43 76.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.4 40.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -147.65 -158.71 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 176.99 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 46' ' ' ALA . 55.0 t-20 -59.39 84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 1.2 ttm105 -47.21 -47.11 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -64.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' HB3' ' ND2' ' A' ' 43' ' ' ASN . . . -50.39 -46.88 56.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 90.7 m-20 -54.69 -44.82 73.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 33' ' ' LEU . 4.4 tp -67.81 -62.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -37.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.98 -42.97 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 36' ' ' LEU . 1.5 mt -59.16 -57.65 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -54.2 -36.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.84 -25.58 66.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.453 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 65.1 p -106.98 9.08 30.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.08 22.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 38.38 7.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ALA . 5.5 t0 -104.79 89.53 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.437 ' HA ' ' CD2' ' A' ' 51' ' ' LEU . 11.1 tt -45.66 -44.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -54.3 -62.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.03 -14.15 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -81.98 -43.81 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 66' ' ' LEU . 28.6 mt -48.06 -59.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -45.77 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.1 mtp -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -94.2 -15.82 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt -76.25 -13.21 60.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.92 40.72 3.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.25 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -125.65 167.12 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.63 154.55 25.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 81.73 2.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.2 p -172.1 137.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -54.84 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 61.63 145.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -98.9 143.61 29.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.168 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 146.77 18.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.057 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -109.54 110.41 21.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -142.42 161.36 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.72 -91.11 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.86 96.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 0.788 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -79.16 128.25 33.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 75.48 -61.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 65.99 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.342 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -41.11 117.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -93.43 142.84 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.8 p -136.4 162.25 33.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.9 t 61.2 101.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -92.87 120.41 33.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.5 m -135.76 146.06 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.75 174.57 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.82 153.5 80.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 102.66 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.57 HG21 ' CD1' ' A' ' 24' ' ' PHE . 1.8 m -82.24 128.89 34.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.416 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 p -66.2 -42.19 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.7 41.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.57 ' CD1' HG21 ' A' ' 21' ' ' THR . 0.1 OUTLIER -127.76 3.57 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 26' ' ' GLU . 5.3 t -140.99 -42.49 0.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' HG21 ' A' ' 25' ' ' THR . 45.7 mt-10 -76.39 0.34 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.61 5.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -83.02 -57.49 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.484 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -98.99 37.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -59.3 -45.62 90.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -70.45 -35.21 73.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -49.85 -53.55 24.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.3 mt -54.57 -38.07 66.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 3.3 mt-10 -67.41 -39.69 85.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -60.85 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.55 -34.88 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.0 tttt -60.62 -13.53 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.55 -37.63 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 62' ' ' ILE . 24.1 mt -56.03 -42.45 76.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.43 40.36 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.6 m-85 -146.74 -159.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.87 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.443 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -47.39 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 10.2 ttm180 -56.87 -46.91 81.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.46 -57.15 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -56.17 -47.06 79.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 95.0 m-20 -56.21 -40.72 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 51' ' ' LEU . 4.9 tp -70.09 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -33.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.15 -49.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD11 ' CD1' ' A' ' 36' ' ' LEU . 1.1 mt -53.45 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.9 m -53.03 -27.59 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.43 -34.55 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.457 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 10.0 p -95.7 5.8 50.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.0 t0 78.49 25.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 82.98 50.28 4.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 61' ' ' ALA . 3.4 t70 -119.4 85.01 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tt -40.92 -46.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -49.97 -62.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.608 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.455 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -66.17 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -72.64 -45.54 58.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LEU . 48.2 mt -49.38 -63.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 14.9 pt-20 -44.35 -47.48 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.5 mmm -64.77 -35.15 80.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 20.2 mt -83.46 -10.77 58.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 62' ' ' ILE . 43.9 mt -82.71 -14.88 53.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.35 40.07 1.7 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.55 65.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -66.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.47 166.97 39.11 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.22 3.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -57.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.8 t -78.58 127.77 32.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.79 87.1 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.03 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -112.16 124.77 53.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -166.14 11.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.83 118.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.026 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p -94.91 170.07 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.07 178.78 16.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.49 169.51 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.51 97.21 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.82 168.18 18.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.09 72.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t 75.53 -59.43 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 179.27 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.99 83.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.9 p -174.34 139.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 77.3 -61.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.3 m -89.51 41.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 111.05 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.92 155.11 81.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.551 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -92.39 130.11 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -39.33 -43.79 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.8 -43.65 65.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 4.8 m-85 -58.23 -16.77 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -112.9 -27.21 8.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 31.7 mt-10 -81.57 1.11 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -114.59 -23.94 4.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.113 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' PHE . 7.5 mtt-85 -78.96 -60.95 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CZ ' ' HA3' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -97.43 38.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 9.1 pt20 -59.61 -44.2 93.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.95 -35.12 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' CA ' HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.22 -56.01 12.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' CD2' ' HG3' ' A' ' 44' ' ' ARG . 1.3 mt -49.95 -39.35 40.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.18 -35.42 76.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -62.06 -59.38 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 0.9 OUTLIER -50.03 -33.99 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -60.05 -14.49 16.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.91 -37.7 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 62' ' ' ILE . 36.3 mt -55.96 -42.2 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.84 40.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -145.71 -161.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.23 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.44 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 7.6 t-20 -54.43 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.485 ' HG3' ' CD2' ' A' ' 33' ' ' LEU . 19.0 ttp-105 -52.99 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.16 -49.4 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -62.05 -49.05 77.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 66.4 m-20 -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 4.3 tp -67.88 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -34.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.92 -47.53 14.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mt -56.04 -55.63 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.8 m -57.31 -26.85 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.69 -29.0 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 17.0 p -102.13 1.27 36.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t0 79.94 36.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.522 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 74.65 51.48 8.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.19 82.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 HD11 ' CA ' ' A' ' 32' ' ' GLU . 4.3 tt -41.89 -49.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 62.5 m-70 -46.47 -57.33 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.78 -22.67 64.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.48 -47.87 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' LEU . 34.9 mt -48.07 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -45.41 -47.85 13.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -64.25 -34.44 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 14.0 mt -81.78 -18.34 44.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ILE . 51.5 mt -73.62 -14.12 61.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.4 41.46 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.87 51.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 166.11 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.8 -81.34 0.97 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.92 42.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -123.79 114.79 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.59 103.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -150.33 -58.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -59.13 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.12 -174.45 4.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -98.97 108.18 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -172.77 150.4 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.37 -157.17 6.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.98 158.75 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 163.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.58 166.54 24.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.61 158.74 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -145.05 118.36 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.05 -64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 148.93 29.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 p -108.44 74.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 p 39.68 90.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.45 79.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.58 161.43 63.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 107.02 2.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -100.43 132.8 45.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.378 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.404 ' O ' ' CG2' ' A' ' 25' ' ' THR . 26.6 m -40.57 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -46.16 -32.98 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 m-85 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.45 HG22 ' N ' ' A' ' 26' ' ' GLU . 9.8 t -175.53 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' HG22 ' A' ' 25' ' ' THR . 75.4 mt-10 -77.07 -0.59 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.67 -26.38 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.21 -67.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' CZ ' ' HA3' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -88.33 39.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.99 -45.78 89.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.61 -38.16 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' A' ' 32' ' ' GLU . 12.0 mp0 -49.78 -56.26 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -50.31 -39.52 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.2 mt-10 -68.04 -37.36 81.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.43 -59.27 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.3 mt -49.58 -35.54 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 15.8 ttmt -60.48 -13.3 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.56 -37.57 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.8 mt -56.82 -41.88 78.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE1' ' CB ' ' A' ' 65' ' ' LEU . 33.2 m-85 -146.76 -159.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.71 -57.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.452 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -42.83 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.64 -47.07 87.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -53.95 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -59.36 -43.52 92.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 75.4 m-20 -58.64 -41.07 85.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD2' ' CG ' ' A' ' 26' ' ' GLU . 4.7 tp -70.05 -62.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -38.72 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 48' ' ' LEU . . . -83.94 -49.89 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.3 mt -52.09 -57.33 9.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.6 m -55.93 -26.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.23 -27.63 64.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 39.9 p -104.86 6.04 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 79.56 36.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.524 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 75.84 27.61 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.16 90.16 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.404 ' N ' HD22 ' A' ' 51' ' ' LEU . 7.5 tt -48.66 -47.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 38.3 m-70 -44.38 -58.69 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.469 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.86 -23.3 64.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.67 -43.69 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 66' ' ' LEU . 62.2 mt -52.0 -65.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -43.2 -46.6 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -65.29 -32.08 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.573 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -88.06 -10.24 50.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.9 mt -83.42 -9.14 59.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.56 41.37 2.36 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.53 59.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.34 133.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.84 102.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.78 150.36 39.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.8 p 173.36 130.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 110.952 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m 61.28 143.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -89.24 144.62 25.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.09 -135.84 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t 62.34 166.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.14 147.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 61.11 1.76 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.8 63.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.25 147.94 51.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 123.51 39.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.75 -62.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t 62.41 132.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.28 166.95 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t 60.41 170.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 -57.04 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -44.91 140.87 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -103.18 165.52 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.28 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mp -131.31 153.13 81.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.47 127.86 32.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 p -57.83 -30.0 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.42 7.31 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.18 0.97 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 26' ' ' GLU . 8.0 t -143.12 -43.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 42.8 mt-10 -77.0 1.26 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.19 -24.03 5.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -87.46 -61.5 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -94.59 34.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.66 -43.32 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.49 -33.08 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.427 ' CB ' HD11 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.35 -54.16 23.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 1.2 mt -52.05 -39.83 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.18 -41.24 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -57.77 -60.02 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.579 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.53 -38.13 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -59.37 -13.93 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.17 -39.1 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 27.4 mt -54.88 -42.51 72.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.76 39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 23.2 m-85 -147.61 -154.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 111.063 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 178.52 -55.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.425 ' HB3' ' CB ' ' A' ' 46' ' ' ALA . 4.7 t-20 -40.27 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 6.4 ttm180 -62.91 -46.47 87.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -51.0 71.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 43' ' ' ASN . . . -62.18 -42.61 99.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.482 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 89.9 m-20 -60.11 -42.9 95.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 4.6 tp -68.26 -62.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -34.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.82 -51.56 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.433 HD13 ' CD1' ' A' ' 36' ' ' LEU . 1.3 mt -52.01 -60.38 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.87 -27.87 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.6 -42.43 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.414 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 16.0 p -88.89 7.3 35.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.392 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.7 OUTLIER 75.34 33.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 36.11 20.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ALA . 1.6 t0 -103.38 90.11 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.427 HD11 ' CB ' ' A' ' 32' ' ' GLU . 8.0 tt -54.38 -41.23 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -55.44 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.45 -26.02 65.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -66.15 -42.57 88.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . 21.8 mt -50.34 -68.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.1 pt-20 -43.83 -45.7 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 1.4 mtp -63.28 -33.15 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' ILE . 24.6 mt -84.58 -24.71 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -62.22 -24.53 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 27.06 3.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.86 -78.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.39 179.75 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.52 -132.65 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -93.36 159.6 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -101.32 145.91 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.19 89.69 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -156.19 -58.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.32 156.31 2.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -82.42 137.59 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t 66.38 111.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.2 -140.84 6.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.46 101.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.09 143.69 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.29 101.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.09 118.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -176.01 138.49 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.44 156.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -148.34 176.4 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -42.49 124.74 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.4 m -158.46 45.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 67.2 -170.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.55 159.99 68.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 24' ' ' PHE . 4.3 m 44.11 92.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.97 59.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -91.36 18.9 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.469 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.1 OUTLIER -117.13 3.18 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.045 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -113.8 -21.62 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 28.5 mt-10 -89.79 12.52 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.22 -35.78 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.563 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -70.59 -73.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -88.05 40.25 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 8.0 tt0 -58.32 -48.93 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -64.19 -37.09 86.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -51.67 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -47.51 -40.25 18.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.48 -38.44 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -59.61 -59.13 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -49.52 -37.59 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -59.4 -14.02 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.11 -39.04 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 26.3 mt -55.18 -42.39 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 28.5 m-85 -145.91 -157.96 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.57 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ALA . 5.1 t-20 -40.15 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.507 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 3.6 ttm180 -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -50.0 74.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.46 -40.39 95.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 85.6 m-20 -61.0 -38.58 86.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 4.2 tp -71.55 -62.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -36.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' CE ' ' A' ' 64' ' ' MET . . . -78.73 -50.19 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD21 ' N ' ' A' ' 58' ' ' ILE . 1.2 mt -50.36 -59.92 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 m -54.65 -28.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.447 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -69.72 -31.32 69.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.2 p -102.73 14.82 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.54 31.62 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 80.51 36.12 24.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -103.5 83.54 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.431 ' N ' HD21 ' A' ' 51' ' ' LEU . 13.3 tt -47.19 -36.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -58.71 -57.4 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.578 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.16 61.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -77.97 -38.76 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.501 HG12 ' CE2' ' A' ' 41' ' ' PHE . 18.8 mt -52.06 -66.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.2 -45.4 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.448 ' CE ' ' HA ' ' A' ' 50' ' ' ALA . 1.9 mtp -63.45 -31.34 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 62' ' ' ILE . 26.1 mt -86.67 -25.1 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -60.76 -20.47 61.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.33 4.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.147 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.71 -71.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.99 141.61 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.94 -84.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.35 18.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 t -76.41 170.81 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.01 -66.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -129.6 -58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.31 129.21 7.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.34 -70.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.32 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -93.44 159.54 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.92 -161.23 34.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.4 62.55 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 -64.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.18 139.43 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -167.16 146.8 5.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.84 151.46 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.3 99.46 12.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.9 m -66.45 169.73 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -74.33 167.51 21.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -50.97 165.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -69.39 169.28 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.38 164.81 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.35 149.78 74.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 102.09 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 m -91.14 129.11 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -44.07 88.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -64.08 -12.86 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.43 0.23 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 26' ' ' GLU . 6.2 t -139.03 -42.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 30.1 mt-10 -74.94 -1.39 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.32 -19.34 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -55.76 5.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -114.0 48.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -61.11 -55.48 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.49 -41.82 70.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -52.53 -56.18 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -52.3 -38.57 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.5 -39.49 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -60.58 -59.59 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 1.2 mt -49.54 -35.58 20.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -61.28 -13.04 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.49 -37.9 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 24.9 mt -56.16 -42.08 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.41 40.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 42.1 m-85 -144.5 -163.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -175.47 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -55.07 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 2.5 ttm180 -58.66 -43.6 89.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.51 -55.24 37.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.84 -48.61 80.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.469 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 86.2 m-20 -53.64 -42.87 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 3.8 tp -66.47 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -36.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.16 -49.66 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 36' ' ' LEU . 1.4 mt -53.49 -56.39 17.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' CG1' ' CE1' ' A' ' 29' ' ' TYR . 27.9 m -57.34 -33.35 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.55 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 18.4 p -99.95 -1.19 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t70 82.15 26.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.18 6.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.7 OUTLIER -109.34 76.97 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 12.0 tt -40.33 -47.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -51.41 -51.16 57.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -73.32 -20.9 60.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' LEU . . . -72.58 -47.37 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' LEU . 41.8 mt -45.62 -62.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.6 pt-20 -48.84 -47.15 42.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.427 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 56.8 mtp -64.65 -30.54 71.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 8.4 mt -84.83 -22.67 29.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 62' ' ' ILE . 64.1 mt -68.1 -17.29 64.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.97 32.41 5.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.9 -46.1 9.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 170.01 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.79 116.87 7.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t 57.82 96.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.051 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -156.87 165.47 36.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -100.92 87.97 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.91 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.7 176.24 48.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -133.55 95.03 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.55 86.28 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.12 158.61 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.63 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 158.37 43.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.92 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.82 119.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 108.277 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 162.08 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -83.41 126.86 33.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -148.96 -58.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 112.74 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -57.13 163.76 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.0 t -90.85 156.98 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 76.1 93.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.38 127.92 26.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.02 6.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.763 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.465 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 2.1 m -94.92 117.99 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' OG1' ' A' ' 25' ' ' THR . 8.4 t -62.24 -36.08 80.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 21' ' ' THR . 0.3 OUTLIER -70.13 -6.3 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.27 2.59 26.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 22' ' ' SER . 2.9 p -112.92 -21.39 11.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.424 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 22.2 mt-10 -83.19 -0.98 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.33 -17.23 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.498 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.44 -62.95 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.498 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -101.81 41.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.42 -46.7 87.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.76 -37.66 86.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.03 -56.8 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.2 mt -49.9 -40.2 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.65 -39.01 88.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -59.43 -59.94 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.2 mt -49.58 -36.32 23.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -60.35 -13.75 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.74 -38.41 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 26.4 mt -55.52 -42.09 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.0 m-85 -146.74 -158.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.53 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.75 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 4.6 ttm180 -57.4 -45.02 85.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.56 -57.9 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.87 -44.5 86.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.48 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 92.7 m-20 -56.66 -40.34 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 4.3 tp -71.25 -62.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -36.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.38 -49.3 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 47' ' ' ASN . 1.8 mt -52.59 -55.47 22.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.91 -28.25 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.19 -27.75 64.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 14.2 p -99.9 4.4 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t70 81.26 14.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 96.76 32.01 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 84.86 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.419 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 5.5 tt -43.21 -48.21 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -46.09 -54.42 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -71.92 -23.56 61.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.14 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 ' CG2' HD13 ' A' ' 66' ' ' LEU . 36.5 mt -51.14 -68.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.5 pt-20 -41.52 -47.05 3.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 mmm -63.55 -36.77 84.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.2 mt -79.4 -20.82 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 62' ' ' ILE . 3.7 mp -69.38 -16.13 63.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 25.97 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.2 -66.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.73 153.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.0 -85.07 1.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 111.08 3.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.74 164.88 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -102.24 135.8 43.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -77.76 141.19 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -135.09 92.36 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.45 -148.12 6.47 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -169.56 169.09 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -152.3 169.38 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.02 147.83 18.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.38 173.3 3.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.8 168.22 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.43 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.52 162.37 40.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 p -154.28 -51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -39.26 -58.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 126.79 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -165.96 -59.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -160.52 90.03 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 98.9 m -105.02 44.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.61 150.1 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.97 154.35 81.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 64.67 6.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -75.4 124.88 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -54.9 -31.09 59.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.19 4.81 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' N ' HG23 ' A' ' 21' ' ' THR . 0.3 OUTLIER -119.39 0.32 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 p -109.92 -25.02 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.9 mt-10 -88.76 13.51 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.43 -36.54 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -68.65 -73.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.9 m-85 -88.04 41.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -57.29 -51.07 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -61.58 -40.14 93.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' CB ' HD12 ' A' ' 58' ' ' ILE . 11.2 mp0 -49.34 -58.01 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 44' ' ' ARG . 2.5 mt -49.23 -40.14 32.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.75 -39.19 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -58.82 -59.69 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -49.73 -36.64 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -60.16 -13.55 12.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.95 -38.81 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 25.3 mt -55.43 -42.15 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 26.4 m-85 -146.62 -157.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.37 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -43.31 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' O ' ' CD2' ' A' ' 33' ' ' LEU . 6.1 ttm180 -65.35 -44.97 86.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -48.81 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.89 81.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.472 ' HB3' ' CD1' ' A' ' 36' ' ' LEU . 92.1 m-20 -55.86 -37.37 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 26' ' ' GLU . 4.8 tp -72.61 -61.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -36.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.73 -50.9 10.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -49.54 -58.46 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.81 -22.07 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.9 -28.14 55.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.401 ' CG2' ' SD ' ' A' ' 64' ' ' MET . 53.7 p -105.89 14.37 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.63 28.54 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 82.49 41.03 9.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' O ' ' N ' ' A' ' 61' ' ' ALA . 1.8 t0 -107.9 89.99 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 HD12 ' CB ' ' A' ' 32' ' ' GLU . 6.5 tt -51.4 -34.55 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -61.61 -53.36 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.03 -14.13 60.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -79.16 -39.76 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' LEU . 21.5 mt -50.03 -65.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -46.12 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.401 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 68.2 mtp -63.96 -29.42 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 47' ' ' ASN . 16.0 mt -87.5 -25.97 23.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -58.99 -23.58 61.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.22 5.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.04 -69.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 t -76.63 -56.46 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.02 121.78 1.71 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.18 3.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.5 m 61.69 93.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.65 147.5 46.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -63.02 -38.38 90.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' CB ' HD12 ' A' ' 58' ' ' ILE . 6.8 mp0 -52.33 -59.3 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.932 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.9 mt -45.91 -41.09 11.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.19 -36.09 81.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.7 mp0 -61.78 -59.51 5.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.86 -33.95 18.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -60.2 -14.42 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 -37.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.962 HD13 HD11 ' A' ' 62' ' ' ILE . 31.1 mt -56.87 -42.17 79.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 40.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -145.5 -161.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.67 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.428 ' CG ' ' CB ' ' A' ' 46' ' ' ALA . 52.2 t-20 -60.14 84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.932 ' CG ' HD22 ' A' ' 33' ' ' LEU . 33.1 ttp180 -50.14 -60.45 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.93 -53.67 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 43' ' ' ASN . . . -63.01 -44.56 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.871 ' O ' HD12 ' A' ' 51' ' ' LEU . 77.6 m-20 -56.94 -37.5 71.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -72.49 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -36.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.86 -49.04 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.01 -59.97 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -51.43 -31.65 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.56 -31.65 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 50' ' ' ALA . 7.5 p -101.58 21.16 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 69.3 21.65 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 22.33 48.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -89.98 90.25 8.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -44.17 -44.68 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -47.73 -59.67 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -66.72 -25.88 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.35 -44.53 78.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD13 ' A' ' 39' ' ' LEU . 58.1 mt -51.09 -66.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.9 pt-20 -43.41 -46.56 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.3 mmm -65.49 -32.81 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 28.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -66.27 -37.95 86.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.32 -57.87 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.0 mt -47.98 -41.12 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.19 -39.5 89.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.11 -60.12 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.14 -37.6 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -59.23 -14.25 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.25 -39.23 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.767 HD21 ' OE2' ' A' ' 35' ' ' GLU . 36.3 mt -54.5 -42.78 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.86 40.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.9 m-85 -147.13 -156.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.96 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.843 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.2 t-20 -44.91 96.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.752 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.9 ttm180 -63.26 -45.89 89.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -50.17 74.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.843 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -63.66 -45.44 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.856 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.5 m-20 -56.99 -39.48 74.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -70.59 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -36.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.12 -51.03 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -52.43 -59.39 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.5 m -52.83 -26.07 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -73.97 -38.03 64.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 50' ' ' ALA . 8.5 p -91.36 9.05 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.7 t70 80.19 7.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . 101.71 38.48 3.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -104.6 84.37 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 35' ' ' GLU . 13.7 tt -40.35 -42.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -54.07 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.595 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -64.23 -22.53 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.51 -41.75 75.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 39' ' ' LEU . 42.4 mt -51.37 -67.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -42.25 -47.43 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.7 mmm -62.73 -35.52 80.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 47' ' ' ASN . 13.5 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -58.78 -39.56 81.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.8 mp0 -53.47 -59.97 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -48.22 -39.33 20.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.46 -37.26 77.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.733 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.6 -59.67 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.21 -37.93 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -59.16 -14.47 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.733 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.78 -42.0 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.07 40.5 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 29.3 m-85 -145.74 -158.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.0 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 3.5 t-20 -43.22 97.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.766 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.74 -41.88 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -49.13 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.09 -43.63 94.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.899 ' O ' HD12 ' A' ' 51' ' ' LEU . 84.6 m-20 -57.88 -41.65 82.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HD21 ' A' ' 33' ' ' LEU . 4.0 tp -67.53 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -38.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . . . -76.36 -52.32 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -51.01 -61.12 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.6 m -51.57 -30.95 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.8 -39.85 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 50' ' ' ALA . 9.9 p -88.37 8.62 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 74.7 21.41 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.21 13.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.62 76.71 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 32' ' ' GLU . 4.6 tt -41.19 -34.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.75 -58.04 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.625 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.19 -24.89 64.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.12 -38.85 86.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 39' ' ' LEU . 20.0 mt -52.09 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.6 pt-20 -44.33 -46.11 9.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.527 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.08 -29.01 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ILE . 12.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.15 -38.05 87.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.626 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.86 -56.09 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 mt -51.24 -39.27 56.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.17 -38.78 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.891 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.97 -58.89 6.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -49.67 -36.87 26.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -60.17 -13.34 11.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.98 -38.52 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.891 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.8 mt -56.14 -42.0 76.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 40.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 31.3 m-85 -145.82 -158.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.0 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.863 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -42.93 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.747 ' HG3' HD22 ' A' ' 33' ' ' LEU . 4.2 ttm180 -65.77 -44.64 85.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.79 -47.59 85.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.35 -44.4 83.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -57.93 -36.03 71.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -74.01 -61.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -36.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.15 -51.26 10.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -48.71 -60.35 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.35 -23.63 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -75.03 -28.44 60.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' ALA . 23.5 p -104.61 7.31 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.5 t0 79.34 20.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.26 40.26 5.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -107.92 89.45 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.768 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.6 tt -49.82 -38.23 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -56.37 -57.26 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -71.91 -21.48 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.32 -40.16 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 ' HZ ' ' A' ' 41' ' ' PHE . 25.3 mt -51.04 -67.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -42.91 -47.9 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.1 -33.15 73.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 47' ' ' ASN . 14.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' LEU . 9.9 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.72 -42.76 93.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 mp0 -52.08 -59.38 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.778 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -45.65 -41.68 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.36 -36.69 79.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -59.57 -59.57 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.899 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.1 mt -49.85 -35.85 24.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -59.64 -14.85 15.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.5 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.697 HD13 HD11 ' A' ' 62' ' ' ILE . 45.7 mt -54.5 -42.23 70.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.84 39.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.9 m-85 -143.96 -160.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -173.19 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 2.5 m120 -39.64 98.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.778 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.4 ttm180 -67.3 -45.02 77.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -45.22 89.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.85 -47.97 70.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.86 ' O ' HD12 ' A' ' 51' ' ' LEU . 67.3 m-20 -53.34 -39.28 63.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -69.37 -63.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -38.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.71 -50.9 10.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -50.29 -57.06 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.3 m -57.76 -23.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -77.14 -35.85 55.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.5 p -90.32 7.25 39.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.17 22.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.92 26.87 25.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.6 m-20 -99.83 78.6 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.899 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -40.15 -33.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -58.45 -57.84 11.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -72.8 -14.1 61.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -78.77 -38.23 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.697 HD11 HD13 ' A' ' 39' ' ' LEU . 11.8 mt -52.72 -65.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.32 -48.53 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.2 mmm -61.41 -34.03 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.4 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -69.55 -34.98 74.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.23 -55.82 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.967 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -50.82 -38.59 49.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.4 mp0 -63.73 -59.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.5 mt -49.99 -33.88 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.38 -13.91 15.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.63 -36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 62' ' ' ILE . 32.5 mt -57.32 -41.86 80.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.12 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.2 m-85 -145.74 -161.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.63 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.82 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 6.4 t-20 -55.89 88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.967 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.3 ttp180 -53.1 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.39 -49.71 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.82 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.96 -43.65 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.91 ' O ' HD12 ' A' ' 51' ' ' LEU . 83.5 m-20 -58.42 -40.0 81.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -69.66 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.08 -35.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.77 -48.58 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.91 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -54.72 -56.99 13.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.8 m -54.33 -29.72 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.34 -34.54 72.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 50' ' ' ALA . 11.1 p -92.44 5.74 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.4 t0 77.98 25.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.69 32.65 23.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.16 83.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.3 tt -40.57 -38.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -53.49 -58.51 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.751 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -71.11 -13.0 61.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -80.03 -43.24 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.946 HD11 HD13 ' A' ' 39' ' ' LEU . 33.7 mt -50.56 -61.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.24 -48.55 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 mmm -63.82 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.8 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.26 -43.6 97.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.6 mp0 -49.15 -56.21 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.907 HD22 ' CG ' ' A' ' 44' ' ' ARG . 3.0 mt -49.93 -40.19 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.92 -38.44 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.691 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.07 -59.34 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.1 -37.72 22.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.11 -14.1 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.49 -38.46 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 62' ' ' ILE . 27.8 mt -55.8 -42.28 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.32 40.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 24.3 m-85 -146.95 -157.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 177.38 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.73 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -53.99 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.907 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.1 ttp180 -57.85 -62.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.44 -45.53 3.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -69.75 -45.54 67.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.855 ' O ' HD12 ' A' ' 51' ' ' LEU . 79.9 m-20 -57.2 -36.54 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -72.91 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -34.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -82.09 -48.25 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.7 mt -52.73 -55.26 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -58.78 -26.67 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.12 -26.14 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 50' ' ' ALA . 47.5 p -106.08 12.65 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t0 75.06 18.24 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.36 36.44 6.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 7.8 t0 -104.18 81.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.0 tt -39.91 -45.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.57 -57.81 8.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -69.32 -22.02 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -51.96 -67.0 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 11.9 pt-20 -41.8 -48.17 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmm -62.25 -36.58 82.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.0 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.6 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.06 -46.38 84.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.658 ' CB ' HD12 ' A' ' 58' ' ' ILE . 3.2 mp0 -50.99 -58.15 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.738 HD22 ' HG3' ' A' ' 44' ' ' ARG . 4.9 mt -46.67 -41.25 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.05 -37.55 81.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.5 mp0 -61.04 -58.85 6.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.8 -36.77 27.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.71 -14.47 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -112.83 -39.36 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 62' ' ' ILE . 45.2 mt -54.2 -42.83 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.63 39.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 35.5 m-85 -144.42 -160.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.22 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.718 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.5 t-20 -53.47 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HG3' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.89 -42.66 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.95 -53.98 52.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -61.26 -46.14 91.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 51' ' ' LEU . 72.5 m-20 -55.31 -34.68 64.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -75.92 -61.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -33.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 54' ' ' THR . . . -82.21 -47.47 12.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -54.12 -53.33 54.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 48' ' ' LEU . 21.4 m -61.84 -20.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -78.59 -28.34 45.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.3 p -102.64 12.81 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.24 16.72 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.65 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t70 -122.75 77.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.759 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.2 tt -39.16 -41.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -55.22 -56.89 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.589 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -70.79 -22.53 62.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.86 -42.62 73.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.766 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -48.22 -67.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.3 pt-20 -44.28 -47.15 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.429 ' SD ' HG22 ' A' ' 54' ' ' THR . 51.5 mtp -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD13 ' OD1' ' A' ' 47' ' ' ASN . 8.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.604 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.27 -56.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -49.0 -40.72 31.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.6 mp0 -60.19 -59.67 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.683 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -49.83 -36.32 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.4 tttt -59.46 -14.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.12 -39.19 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 62' ' ' ILE . 40.6 mt -54.78 -42.56 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 40.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.6 m-85 -145.69 -158.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.89 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.948 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.9 t-20 -40.24 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.78 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 ttm180 -64.95 -49.7 69.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.08 -46.15 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.43 -44.76 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.775 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.3 m-20 -57.43 -39.83 77.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -69.97 -63.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -36.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.26 -45.7 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -55.72 -56.41 20.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -57.31 -29.86 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.33 -25.93 67.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 50' ' ' ALA . 50.1 p -106.38 7.89 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 80.23 10.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.38 44.79 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.2 t0 -111.39 81.48 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.683 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.4 tt -40.1 -37.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -58.64 -60.64 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -67.85 -22.52 65.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.38 -39.57 77.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.667 HD11 HD13 ' A' ' 39' ' ' LEU . 23.1 mt -52.21 -67.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.6 pt-20 -41.8 -47.11 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.5 mmm -63.05 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ILE . 22.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HA ' HD12 ' A' ' 33' ' ' LEU . 7.0 pt20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -63.88 -42.23 97.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.636 ' CB ' HD12 ' A' ' 58' ' ' ILE . 34.5 mp0 -49.5 -53.13 24.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.927 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.6 mt -54.2 -37.86 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.95 -38.28 79.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' CG ' ' A' ' 47' ' ' ASN . 1.1 mt -49.61 -36.36 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.44 -13.38 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.97 -37.85 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.7 mt -56.73 -41.78 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.67 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 36.2 m-85 -144.99 -161.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.14 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 8.9 t-20 -55.8 89.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.927 ' CG ' HD22 ' A' ' 33' ' ' LEU . 42.8 ttp85 -56.47 -62.32 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.403 ' OD1' ' NH2' ' A' ' 44' ' ' ARG . 1.2 m-20 -41.48 -47.3 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.17 -47.75 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.835 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.2 m-20 -55.84 -43.15 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD13 HD21 ' A' ' 33' ' ' LEU . 3.7 tp -65.96 -64.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -38.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 54' ' ' THR . . . -77.12 -52.18 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -49.64 -61.26 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.9 m -52.87 -35.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -61.78 -34.08 75.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.5 p -97.69 15.38 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t0 74.98 4.32 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . 104.38 39.74 2.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -106.43 80.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.791 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.9 tt -41.97 -38.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -57.6 -48.57 79.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -75.48 -24.16 56.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.56 -42.69 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 39' ' ' LEU . 33.3 mt -49.05 -65.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -47.99 -47.2 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.466 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.14 -25.18 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' OD1' ' A' ' 47' ' ' ASN . 13.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.2 -36.06 69.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.14 -53.17 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.779 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -55.98 -36.03 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.77 -40.01 76.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -60.64 -59.36 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.688 HD11 HD11 ' A' ' 51' ' ' LEU . 1.5 mt -50.04 -35.12 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.25 -12.75 14.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.08 -37.87 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.27 -42.11 76.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.43 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' CB ' ' A' ' 65' ' ' LEU . 38.3 m-85 -145.8 -161.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.26 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.49 95.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.779 ' CG ' HD22 ' A' ' 33' ' ' LEU . 2.3 ttm180 -58.81 -44.87 90.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -56.48 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -55.8 -46.25 78.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.807 ' O ' HD12 ' A' ' 51' ' ' LEU . 96.5 m-20 -57.19 -42.55 81.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -68.39 -62.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.79 -33.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.21 -51.04 8.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -51.93 -58.78 5.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.7 m -54.48 -30.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.72 -28.45 68.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.4 p -104.22 6.83 35.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.68 33.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.41 42.07 23.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -111.26 86.99 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.657 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.38 -49.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 59.9 m170 -44.75 -59.74 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.89 -22.56 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.14 -42.47 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.865 HD11 HD13 ' A' ' 39' ' ' LEU . 36.2 mt -51.37 -65.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.7 pt-20 -42.84 -46.07 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.6 mmm -65.66 -33.53 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.562 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.2 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -68.51 -36.34 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.74 -55.33 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.764 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.9 mt -52.15 -38.76 58.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.85 -38.36 86.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -61.65 -59.59 4.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.77 -35.32 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.3 ttpt -60.92 -12.76 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.15 -37.8 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD11 ' A' ' 62' ' ' ILE . 25.6 mt -56.07 -42.43 76.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.4 40.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -147.65 -158.71 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 176.99 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 55.0 t-20 -59.39 84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.764 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.2 ttm105 -47.21 -47.11 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -64.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -50.39 -46.88 56.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 51' ' ' LEU . 90.7 m-20 -54.69 -44.82 73.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 33' ' ' LEU . 4.4 tp -67.81 -62.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -37.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.98 -42.97 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -59.16 -57.65 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 28.3 m -54.2 -36.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -60.84 -25.58 66.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 50' ' ' ALA . 65.1 p -106.98 9.08 30.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.08 22.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 38.38 7.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 5.5 t0 -104.79 89.53 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.66 -44.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -54.3 -62.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -65.03 -14.15 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -81.98 -43.81 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.959 HD11 HD13 ' A' ' 39' ' ' LEU . 28.6 mt -48.06 -59.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -45.77 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.1 mtp -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -70.45 -35.21 73.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.85 -53.55 24.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -54.57 -38.07 66.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 3.3 mt-10 -67.41 -39.69 85.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.763 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.85 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 47' ' ' ASN . 1.3 mt -49.55 -34.88 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.0 tttt -60.62 -13.53 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.55 -37.63 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 62' ' ' ILE . 24.1 mt -56.03 -42.45 76.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.43 40.36 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.6 m-85 -146.74 -159.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.87 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.793 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -47.39 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.784 ' CG ' HD22 ' A' ' 33' ' ' LEU . 10.2 ttm180 -56.87 -46.91 81.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.46 -57.15 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -56.17 -47.06 79.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.728 ' O ' HD12 ' A' ' 51' ' ' LEU . 95.0 m-20 -56.21 -40.72 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 33' ' ' LEU . 4.9 tp -70.09 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -33.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.15 -49.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -53.45 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.9 m -53.03 -27.59 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -72.43 -34.55 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.0 p -95.7 5.8 50.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.0 t0 78.49 25.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.98 50.28 4.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 3.4 t70 -119.4 85.01 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.0 tt -40.92 -46.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -49.97 -62.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.608 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -66.17 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.64 -45.54 58.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 39' ' ' LEU . 48.2 mt -49.38 -63.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 14.9 pt-20 -44.35 -47.48 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.5 mmm -64.77 -35.15 80.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 20.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.95 -35.12 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.651 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.22 -56.01 12.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.821 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 mt -49.95 -39.35 40.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.18 -35.42 76.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -62.06 -59.38 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD13 ' CG ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -50.03 -33.99 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -60.05 -14.49 16.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.91 -37.7 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.035 HD13 HD11 ' A' ' 62' ' ' ILE . 36.3 mt -55.96 -42.2 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.84 40.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -145.71 -161.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.23 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.885 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 7.6 t-20 -54.43 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.821 ' HG3' HD22 ' A' ' 33' ' ' LEU . 19.0 ttp-105 -52.99 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.16 -49.4 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.05 -49.05 77.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.783 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.4 m-20 -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -67.88 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -34.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.92 -47.53 14.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -56.04 -55.63 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.8 m -57.31 -26.85 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -71.69 -29.0 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.0 p -102.13 1.27 36.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t0 79.94 36.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.48 8.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.19 82.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.658 HD11 ' HG ' ' A' ' 36' ' ' LEU . 4.3 tt -41.89 -49.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.435 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 62.5 m-70 -46.47 -57.33 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.78 -22.67 64.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.48 -47.87 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.035 HD11 HD13 ' A' ' 39' ' ' LEU . 34.9 mt -48.07 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -45.41 -47.85 13.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -64.25 -34.44 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.61 -38.16 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 58' ' ' ILE . 12.0 mp0 -49.78 -56.26 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.776 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -50.31 -39.52 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.2 mt-10 -68.04 -37.36 81.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.43 -59.27 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.58 -35.54 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 15.8 ttmt -60.48 -13.3 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.56 -37.57 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.875 HD13 HD11 ' A' ' 62' ' ' ILE . 24.8 mt -56.82 -41.88 78.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE1' ' CB ' ' A' ' 65' ' ' LEU . 33.2 m-85 -146.76 -159.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.71 -57.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.74 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -42.83 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.776 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.64 -47.07 87.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -53.95 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -59.36 -43.52 92.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.729 ' O ' HD12 ' A' ' 51' ' ' LEU . 75.4 m-20 -58.64 -41.07 85.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD13 HD21 ' A' ' 33' ' ' LEU . 4.7 tp -70.05 -62.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -38.72 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -83.94 -49.89 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.09 -57.33 9.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -55.93 -26.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.23 -27.63 64.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.517 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 39.9 p -104.86 6.04 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 79.56 36.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.61 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.16 90.16 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 36' ' ' LEU . 7.5 tt -48.66 -47.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 40.1 m80 -44.38 -58.69 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -68.86 -23.3 64.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.67 -43.69 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.875 HD11 HD13 ' A' ' 39' ' ' LEU . 62.2 mt -52.0 -65.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -43.2 -46.6 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -65.29 -32.08 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.573 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.49 -33.08 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.35 -54.16 23.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.801 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.2 mt -52.05 -39.83 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.18 -41.24 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -57.77 -60.02 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.53 -38.13 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 16.3 tttt -59.37 -13.93 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.17 -39.1 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 62' ' ' ILE . 27.4 mt -54.88 -42.51 72.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.76 39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.672 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.2 m-85 -147.61 -154.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 111.063 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 178.52 -55.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.891 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.7 t-20 -40.27 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.801 ' CG ' HD22 ' A' ' 33' ' ' LEU . 6.4 ttm180 -62.91 -46.47 87.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -51.0 71.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.891 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.18 -42.61 99.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -60.11 -42.9 95.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.725 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -68.26 -62.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -34.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.82 -51.56 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.01 -60.38 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -51.87 -27.87 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.6 -42.43 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 50' ' ' ALA . 16.0 p -88.89 7.3 35.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.392 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.7 OUTLIER 75.34 33.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 36.11 20.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.6 t0 -103.38 90.11 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.661 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.0 tt -54.38 -41.23 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -55.44 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -68.45 -26.02 65.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -66.15 -42.57 88.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.681 HD11 HD13 ' A' ' 39' ' ' LEU . 21.8 mt -50.34 -68.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.1 pt-20 -43.83 -45.7 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.4 mtp -63.28 -33.15 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' A' ' 47' ' ' ASN . 24.6 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -64.19 -37.09 86.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 58' ' ' ILE . 5.3 mp0 -51.67 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -47.51 -40.25 18.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.48 -38.44 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -59.61 -59.13 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -49.52 -37.59 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -59.4 -14.02 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.11 -39.04 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 62' ' ' ILE . 26.3 mt -55.18 -42.39 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 28.5 m-85 -145.91 -157.96 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.57 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.781 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.1 t-20 -40.15 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.6 ttm180 -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -50.0 74.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.46 -40.39 95.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.778 ' O ' HD12 ' A' ' 51' ' ' LEU . 85.6 m-20 -61.0 -38.58 86.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -71.55 -62.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -36.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.19 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -50.36 -59.92 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -54.65 -28.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.72 -31.32 69.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' ALA . 25.2 p -102.73 14.82 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.54 31.62 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.12 24.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -103.5 83.54 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 36' ' ' LEU . 13.3 tt -47.19 -36.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -58.71 -57.4 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.578 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.16 61.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -77.97 -38.76 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -52.06 -66.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.2 -45.4 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.539 ' CE ' ' HB3' ' A' ' 53' ' ' ALA . 1.9 mtp -63.45 -31.34 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 47' ' ' ASN . 26.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.5 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.49 -41.82 70.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -52.53 -56.18 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -52.3 -38.57 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.5 -39.49 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.819 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.58 -59.59 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.54 -35.58 20.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -61.28 -13.04 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.49 -37.9 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.993 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.16 -42.08 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.41 40.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 42.1 m-85 -144.5 -163.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -175.47 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -55.07 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.756 ' HG3' HD22 ' A' ' 33' ' ' LEU . 2.5 ttm180 -58.66 -43.6 89.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.51 -55.24 37.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -58.84 -48.61 80.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.823 ' O ' HD12 ' A' ' 51' ' ' LEU . 86.2 m-20 -53.64 -42.87 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 33' ' ' LEU . 3.8 tp -66.47 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -41.44 -36.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.835 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.16 -49.66 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.49 -56.39 17.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 48' ' ' LEU . 27.9 m -57.34 -33.35 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -64.55 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 50' ' ' ALA . 18.4 p -99.95 -1.19 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t70 82.15 26.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.18 6.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -109.34 76.97 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' GLU . 12.0 tt -40.33 -47.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -51.41 -51.16 57.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -73.32 -20.9 60.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.58 -47.37 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.993 HD11 HD13 ' A' ' 39' ' ' LEU . 41.8 mt -45.62 -62.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.6 pt-20 -48.84 -47.15 42.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 54' ' ' THR . 56.8 mtp -64.65 -30.54 71.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 47' ' ' ASN . 8.4 mt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.76 -37.66 86.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.64 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.03 -56.8 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -49.9 -40.2 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.65 -39.01 88.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.826 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.43 -59.94 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.2 mt -49.58 -36.32 23.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -60.35 -13.75 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.74 -38.41 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.826 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.52 -42.09 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.0 m-85 -146.74 -158.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.53 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 28.0 t-20 -54.75 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.757 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.6 ttm180 -57.4 -45.02 85.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.56 -57.9 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -57.87 -44.5 86.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.7 m-20 -56.66 -40.34 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -71.25 -62.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -36.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.38 -49.3 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.8 mt -52.59 -55.47 22.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 27.5 m -57.91 -28.25 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.19 -27.75 64.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 50' ' ' ALA . 14.2 p -99.9 4.4 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t70 81.26 14.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.76 32.01 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 84.86 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.816 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.5 tt -43.21 -48.21 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -46.09 -54.42 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -71.92 -23.56 61.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.63 -41.14 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.567 HD11 HD13 ' A' ' 39' ' ' LEU . 36.5 mt -51.14 -68.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.5 pt-20 -41.52 -47.05 3.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 mmm -63.55 -36.77 84.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -61.58 -40.14 93.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' CB ' HD12 ' A' ' 58' ' ' ILE . 11.2 mp0 -49.34 -58.01 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.748 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.5 mt -49.23 -40.14 32.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.75 -39.19 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.844 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.82 -59.69 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.684 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.73 -36.64 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -60.16 -13.55 12.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.95 -38.81 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.844 HD21 ' OE2' ' A' ' 35' ' ' GLU . 25.3 mt -55.43 -42.15 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 26.4 m-85 -146.62 -157.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.37 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.5 t-20 -43.31 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.748 ' HG3' HD22 ' A' ' 33' ' ' LEU . 6.1 ttm180 -65.35 -44.97 86.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -48.81 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.5 -45.89 81.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.779 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.1 m-20 -55.86 -37.37 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 33' ' ' LEU . 4.8 tp -72.61 -61.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -36.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.9 10.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -49.54 -58.46 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.81 -22.07 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -76.9 -28.14 55.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 53.7 p -105.89 14.37 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.63 28.54 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 41.03 9.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t0 -107.9 89.99 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.684 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.5 tt -51.4 -34.55 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -61.61 -53.36 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -76.03 -14.13 60.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -79.16 -39.76 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 39' ' ' LEU . 21.5 mt -50.03 -65.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -46.12 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.401 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 68.2 mtp -63.96 -29.42 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 47' ' ' ASN . 16.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -165.26 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 0.728 . . . . 0.0 109.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -122.11 168.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.26 118.85 2.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.94 141.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -118.39 150.84 38.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.0 -75.45 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.49 93.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? 59.12 169.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.96 116.33 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 67.2 126.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -166.49 89.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 14' ' ' SER . 2.1 tt0 -75.3 144.24 42.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 27.3 t -128.86 91.1 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.8 142.88 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -164.51 -66.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -84.25 -21.63 31.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.52 152.54 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mp -130.42 153.66 81.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 24' ' ' PHE . 2.7 m -102.31 121.43 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 p -70.38 -33.25 71.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.49 29.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.496 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -112.31 -7.48 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -114.46 -21.05 10.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.51 -1.28 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.17 -8.7 9.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -91.9 -59.46 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 2.4 m-85 -108.38 41.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.3 tt0 -58.82 -48.53 80.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -63.02 -38.38 90.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' CB ' HD12 ' A' ' 58' ' ' ILE . 6.8 mp0 -52.33 -59.3 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.932 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.9 mt -45.91 -41.09 11.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.19 -36.09 81.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.7 mp0 -61.78 -59.51 5.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.86 -33.95 18.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -60.2 -14.42 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 -37.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.962 HD13 HD11 ' A' ' 62' ' ' ILE . 31.1 mt -56.87 -42.17 79.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 40.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -145.5 -161.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.67 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.428 ' CG ' ' CB ' ' A' ' 46' ' ' ALA . 52.2 t-20 -60.14 84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.932 ' CG ' HD22 ' A' ' 33' ' ' LEU . 33.1 ttp180 -50.14 -60.45 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.93 -53.67 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 43' ' ' ASN . . . -63.01 -44.56 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.871 ' O ' HD12 ' A' ' 51' ' ' LEU . 77.6 m-20 -56.94 -37.5 71.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -72.49 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -36.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.86 -49.04 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.01 -59.97 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -51.43 -31.65 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.56 -31.65 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 50' ' ' ALA . 7.5 p -101.58 21.16 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 69.3 21.65 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 86.21 22.33 48.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -89.98 90.25 8.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -44.17 -44.68 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -47.73 -59.67 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -66.72 -25.88 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.35 -44.53 78.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD13 ' A' ' 39' ' ' LEU . 58.1 mt -51.09 -66.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.9 pt-20 -43.41 -46.56 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.3 mmm -65.49 -32.81 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 28.9 mt -85.61 -13.15 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.9 mt -79.08 -16.44 56.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.19 32.92 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.73 63.81 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -61.53 -65.9 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.95 -85.69 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.31 41.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 t -139.48 154.4 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.2 p -173.53 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -103.96 -46.46 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -62.9 97.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.69 141.51 6.07 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.89 154.92 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -84.18 157.28 21.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.52 78.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.66 150.82 26.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.38 141.74 47.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 116.84 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -174.77 130.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.23 86.52 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -146.23 167.55 23.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 m -136.61 -54.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.43 163.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -134.43 -54.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.9 m 53.56 -102.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 82.48 135.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -130.5 154.47 81.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.95 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.3 m -115.01 124.0 50.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 p -69.05 -29.4 67.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp -91.48 22.35 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.44 -4.95 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' HD21 ' A' ' 48' ' ' LEU . 2.1 p -112.37 -20.97 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 6.7 mt-10 -90.27 12.44 18.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.53 -33.08 1.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.143 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.42 -67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.6 m-85 -94.32 41.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.4 -46.07 87.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -66.27 -37.95 86.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.32 -57.87 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.0 mt -47.98 -41.12 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.19 -39.5 89.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.11 -60.12 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.14 -37.6 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -59.23 -14.25 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.25 -39.23 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.767 HD21 ' OE2' ' A' ' 35' ' ' GLU . 36.3 mt -54.5 -42.78 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.86 40.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.9 m-85 -147.13 -156.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.96 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.843 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.2 t-20 -44.91 96.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.752 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.9 ttm180 -63.26 -45.89 89.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -50.17 74.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.843 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -63.66 -45.44 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.856 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.5 m-20 -56.99 -39.48 74.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -70.59 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -36.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.12 -51.03 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -52.43 -59.39 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.5 m -52.83 -26.07 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -73.97 -38.03 64.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 50' ' ' ALA . 8.5 p -91.36 9.05 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.7 t70 80.19 7.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 101.71 38.48 3.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -104.6 84.37 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 35' ' ' GLU . 13.7 tt -40.35 -42.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -54.07 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.595 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -64.23 -22.53 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.51 -41.75 75.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 39' ' ' LEU . 42.4 mt -51.37 -67.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HA ' HD22 ' A' ' 66' ' ' LEU . 9.0 pt-20 -42.25 -47.43 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.7 mmm -62.73 -35.52 80.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 47' ' ' ASN . 13.5 mt -80.22 -25.9 39.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -60.35 -21.63 62.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.07 18.17 6.93 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.58 -72.25 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.4 117.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.4 100.44 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 61.28 5.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.2 p -43.71 -58.5 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 t -90.9 103.78 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -67.11 158.91 29.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -127.63 -53.65 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.71 -124.8 6.02 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.8 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.014 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.03 135.85 33.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.4 -88.54 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.45 91.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.24 117.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.43 167.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.81 152.36 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 145.9 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -144.76 147.74 33.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 t -172.15 155.31 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.76 80.16 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 174.78 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -111.79 146.85 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.87 149.72 25.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -140.91 154.91 69.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.1 m -95.45 128.29 42.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -29.57 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.6 21.6 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.499 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.35 -7.34 15.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.816 HG21 HG11 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -114.26 -18.04 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.4 0.33 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.92 -20.6 6.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -70.89 -69.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' A' ' 28' ' ' ARG . 1.2 m-85 -100.98 48.8 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -57.35 -52.35 65.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -58.78 -39.56 81.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.8 mp0 -53.47 -59.97 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -48.22 -39.33 20.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.46 -37.26 77.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.733 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.6 -59.67 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.21 -37.93 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -59.16 -14.47 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.733 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.78 -42.0 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.07 40.5 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 29.3 m-85 -145.74 -158.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.0 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 3.5 t-20 -43.22 97.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.766 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.74 -41.88 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -49.13 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.09 -43.63 94.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.899 ' O ' HD12 ' A' ' 51' ' ' LEU . 84.6 m-20 -57.88 -41.65 82.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HD21 ' A' ' 33' ' ' LEU . 4.0 tp -67.53 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -38.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . . . -76.36 -52.32 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -51.01 -61.12 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.816 HG11 HG21 ' A' ' 25' ' ' THR . 35.6 m -51.57 -30.95 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.8 -39.85 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 50' ' ' ALA . 9.9 p -88.37 8.62 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 74.7 21.41 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.21 13.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.62 76.71 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 32' ' ' GLU . 4.6 tt -41.19 -34.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.75 -58.04 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.625 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.19 -24.89 64.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.12 -38.85 86.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 39' ' ' LEU . 20.0 mt -52.09 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.6 pt-20 -44.33 -46.11 9.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.527 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.08 -29.01 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ILE . 12.0 mt -87.94 -29.62 20.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -55.61 -19.33 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.17 14.58 10.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.05 -71.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.2 m -104.53 121.4 43.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.65 155.62 8.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 70.96 5.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.1 t -171.67 123.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.16 113.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.57 -61.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -176.75 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.06 -172.7 26.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.68 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t 60.91 103.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.01 134.06 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.66 83.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.43 99.47 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.08 71.56 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.22 150.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -170.87 127.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -58.33 129.83 43.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -162.74 155.38 19.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.62 87.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.81 76.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 p -123.45 171.26 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.42 49.71 1.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mp -135.51 153.24 77.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.76 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 24' ' ' PHE . 1.6 m -83.53 130.72 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.4 p -53.74 -25.94 21.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 11.03 14.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -122.81 1.83 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -112.85 -22.9 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.0 mt-10 -88.2 8.26 27.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.3 -33.7 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -72.34 -69.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.331 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -94.64 41.46 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -58.87 -47.17 85.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.15 -38.05 87.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.626 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.86 -56.09 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 mt -51.24 -39.27 56.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.17 -38.78 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.891 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.97 -58.89 6.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -49.67 -36.87 26.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -60.17 -13.34 11.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.98 -38.52 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.891 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.8 mt -56.14 -42.0 76.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 40.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 31.3 m-85 -145.82 -158.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.0 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.863 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -42.93 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.747 ' HG3' HD22 ' A' ' 33' ' ' LEU . 4.2 ttm180 -65.77 -44.64 85.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.79 -47.59 85.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.35 -44.4 83.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -57.93 -36.03 71.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -74.01 -61.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -36.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.15 -51.26 10.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -48.71 -60.35 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.35 -23.63 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -75.03 -28.44 60.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' ALA . 23.5 p -104.61 7.31 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.5 t0 79.34 20.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 90.26 40.26 5.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -107.92 89.45 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.768 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.6 tt -49.82 -38.23 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -56.37 -57.26 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -71.91 -21.48 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.32 -40.16 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 ' HZ ' ' A' ' 41' ' ' PHE . 25.3 mt -51.04 -67.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -42.91 -47.9 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.1 -33.15 73.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 47' ' ' ASN . 14.1 mt -82.9 -27.52 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -59.15 -19.57 46.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.87 17.73 6.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.99 54.8 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -148.39 155.28 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.32 -83.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 100.45 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -170.89 96.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 m -158.17 -60.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.71 146.31 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 126.84 6.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.41 174.47 41.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t 56.89 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 0.0 109.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -172.97 125.63 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.99 109.06 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.86 77.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 0.706 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 149.19 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.48 143.85 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -162.67 -62.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 133.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.57 105.74 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.39 138.94 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.81 75.16 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -118.2 169.43 9.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -40.66 126.24 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 161.25 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -129.3 151.22 77.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.1 m -92.29 127.12 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.6 m -66.16 -27.15 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -90.77 18.44 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -114.55 -2.41 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 HG11 ' A' ' 52' ' ' VAL . 1.6 m -122.41 -0.51 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -86.27 -15.55 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 -14.34 57.44 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.557 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.8 m-85 -123.65 51.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' LEU . 9.9 tt0 -60.6 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.72 -42.76 93.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 mp0 -52.08 -59.38 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.778 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -45.65 -41.68 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.36 -36.69 79.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -59.57 -59.57 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.899 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.1 mt -49.85 -35.85 24.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -59.64 -14.85 15.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.5 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.697 HD13 HD11 ' A' ' 62' ' ' ILE . 45.7 mt -54.5 -42.23 70.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.84 39.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.9 m-85 -143.96 -160.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -173.19 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 2.5 m120 -39.64 98.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.778 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.4 ttm180 -67.3 -45.02 77.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -45.22 89.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.85 -47.97 70.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.86 ' O ' HD12 ' A' ' 51' ' ' LEU . 67.3 m-20 -53.34 -39.28 63.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -69.37 -63.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -38.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.71 -50.9 10.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -50.29 -57.06 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 25' ' ' THR . 33.3 m -57.76 -23.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -77.14 -35.85 55.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.5 p -90.32 7.25 39.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.17 22.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 88.92 26.87 25.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.6 m-20 -99.83 78.6 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.899 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -40.15 -33.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -58.45 -57.84 11.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -72.8 -14.1 61.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -78.77 -38.23 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.697 HD11 HD13 ' A' ' 39' ' ' LEU . 11.8 mt -52.72 -65.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -43.32 -48.53 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.2 mmm -61.41 -34.03 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.4 mt -81.77 -28.13 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -56.83 -21.82 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.95 23.52 5.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.83 35.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.1 p -140.66 146.35 37.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.77 -144.94 4.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.87 30.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -98.61 131.07 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -56.48 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.82 168.64 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -166.18 158.01 13.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.21 -173.16 12.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p -177.66 150.99 0.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -152.38 159.13 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.05 174.15 31.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.51 145.58 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.53 117.02 29.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.99 -59.06 1.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 61.11 155.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -160.77 86.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -70.23 70.57 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.48 105.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -39.49 125.06 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -38.97 152.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.507 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 13.5 t -108.2 155.23 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 71.61 55.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.94 163.68 22.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.05 2.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 24' ' ' PHE . 1.3 m -68.32 125.98 28.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -31.73 70.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mp -92.42 27.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -111.55 -3.3 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.1 p -115.88 -28.18 6.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 12.4 mt-10 -88.78 13.34 12.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.43 -34.11 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 29.8 mtt180 -80.49 -59.15 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -101.4 39.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -60.64 -45.68 93.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -69.55 -34.98 74.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.23 -55.82 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.967 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -50.82 -38.59 49.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.4 mp0 -63.73 -59.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.5 mt -49.99 -33.88 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.38 -13.91 15.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.63 -36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 62' ' ' ILE . 32.5 mt -57.32 -41.86 80.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.12 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.2 m-85 -145.74 -161.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.63 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.82 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 6.4 t-20 -55.89 88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.967 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.3 ttp180 -53.1 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.39 -49.71 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.82 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.96 -43.65 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.91 ' O ' HD12 ' A' ' 51' ' ' LEU . 83.5 m-20 -58.42 -40.0 81.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -69.66 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.08 -35.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.77 -48.58 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.91 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -54.72 -56.99 13.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.8 m -54.33 -29.72 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.34 -34.54 72.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 50' ' ' ALA . 11.1 p -92.44 5.74 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.4 t0 77.98 25.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 83.69 32.65 23.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.16 83.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.3 tt -40.57 -38.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -53.49 -58.51 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.751 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -71.11 -13.0 61.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -80.03 -43.24 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.946 HD11 HD13 ' A' ' 39' ' ' LEU . 33.7 mt -50.56 -61.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.24 -48.55 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 mmm -63.82 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.8 mt -87.67 -12.49 45.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' ILE . 39.3 mt -81.08 -16.19 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.44 33.89 2.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.48 63.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 t -133.82 161.44 34.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.9 158.72 36.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 156.12 42.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.16 131.25 10.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -49.19 133.01 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -172.54 124.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 -58.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.78 -166.85 24.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -173.11 93.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 p -171.76 -58.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.76 89.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.36 68.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 61.58 158.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.81 103.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -177.69 126.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -162.33 111.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.92 163.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -107.15 86.82 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 t 174.82 128.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -80.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m 56.54 46.98 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.56 -170.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -140.01 155.95 70.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 24' ' ' PHE . 1.1 m 38.24 73.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -11.26 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.81 13.54 32.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -110.4 -5.71 15.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.542 ' C ' HD21 ' A' ' 48' ' ' LEU . 1.4 p -99.18 -19.95 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.92 3.94 46.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' O ' ' OE1' ' A' ' 30' ' ' GLN . . . -113.08 -32.43 2.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' NE ' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -66.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' NE ' ' A' ' 28' ' ' ARG . 2.5 m-85 -93.72 36.87 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.1 pt20 -52.8 -45.85 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.26 -43.6 97.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.6 mp0 -49.15 -56.21 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.907 HD22 ' CG ' ' A' ' 44' ' ' ARG . 3.0 mt -49.93 -40.19 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.92 -38.44 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.691 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.07 -59.34 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.1 -37.72 22.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.11 -14.1 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.49 -38.46 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 62' ' ' ILE . 27.8 mt -55.8 -42.28 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.32 40.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 24.3 m-85 -146.95 -157.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 177.38 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.73 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -53.99 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.907 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.1 ttp180 -57.85 -62.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.44 -45.53 3.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -69.75 -45.54 67.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.855 ' O ' HD12 ' A' ' 51' ' ' LEU . 79.9 m-20 -57.2 -36.54 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -72.91 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -34.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -82.09 -48.25 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.7 mt -52.73 -55.26 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -58.78 -26.67 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.12 -26.14 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 50' ' ' ALA . 47.5 p -106.08 12.65 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t0 75.06 18.24 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 92.36 36.44 6.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 7.8 t0 -104.18 81.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.0 tt -39.91 -45.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.57 -57.81 8.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -69.32 -22.02 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -51.96 -67.0 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HA ' HD22 ' A' ' 66' ' ' LEU . 11.9 pt-20 -41.8 -48.17 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmm -62.25 -36.58 82.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.0 mt -78.94 -25.2 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -61.95 -16.99 55.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.09 11.08 8.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.49 63.68 7.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -148.13 146.79 28.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.98 157.9 27.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.69 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.6 119.51 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t 62.24 125.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -95.03 84.03 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.13 152.15 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.05 151.13 51.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 65.54 119.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -153.55 101.46 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.43 135.66 9.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.45 145.73 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.05 149.03 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.42 107.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m -124.63 108.68 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.39 144.23 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -173.51 170.59 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.91 134.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -58.65 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.36 118.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -101.78 -23.49 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.46 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -145.74 145.93 27.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.808 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 2.8 m -76.76 119.31 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -64.43 -26.68 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.02 20.46 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -117.44 -0.31 11.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.614 HG21 HG11 ' A' ' 52' ' ' VAL . 1.9 m -123.42 -0.64 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -85.43 -15.91 41.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.38 59.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.23 -62.3 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.547 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.7 m-85 -119.58 52.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.6 tt0 -60.31 -42.19 95.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.06 -46.38 84.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.658 ' CB ' HD12 ' A' ' 58' ' ' ILE . 3.2 mp0 -50.99 -58.15 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.738 HD22 ' HG3' ' A' ' 44' ' ' ARG . 4.9 mt -46.67 -41.25 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.05 -37.55 81.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.5 mp0 -61.04 -58.85 6.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.8 -36.77 27.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.71 -14.47 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -112.83 -39.36 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 62' ' ' ILE . 45.2 mt -54.2 -42.83 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.63 39.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 35.5 m-85 -144.42 -160.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.22 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.718 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.5 t-20 -53.47 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HG3' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.89 -42.66 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.95 -53.98 52.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -61.26 -46.14 91.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 51' ' ' LEU . 72.5 m-20 -55.31 -34.68 64.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -75.92 -61.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -33.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 54' ' ' THR . . . -82.21 -47.47 12.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -54.12 -53.33 54.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.614 HG11 HG21 ' A' ' 25' ' ' THR . 21.4 m -61.84 -20.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -78.59 -28.34 45.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.3 p -102.64 12.81 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.24 16.72 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 94.31 54.65 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t70 -122.75 77.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.759 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.2 tt -39.16 -41.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -55.22 -56.89 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.589 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -70.79 -22.53 62.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.86 -42.62 73.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.766 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -48.22 -67.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HA ' HD22 ' A' ' 66' ' ' LEU . 9.3 pt-20 -44.28 -47.15 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.429 ' SD ' HG22 ' A' ' 54' ' ' THR . 51.5 mtp -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD13 ' OD1' ' A' ' 47' ' ' ASN . 8.3 mt -86.04 -28.87 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -56.58 -20.61 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.12 8.84 16.74 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -68.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 t -57.61 -57.83 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.08 154.13 7.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.47 12.73 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.5 p -132.46 158.66 41.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -95.99 91.03 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.799 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.88 137.36 18.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.82 123.06 8.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -163.36 166.79 22.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -63.29 136.73 57.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.75 130.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.91 100.96 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.27 154.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.11 -61.2 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -155.5 164.58 38.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -171.16 -57.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 151.34 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m 60.78 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -165.91 132.37 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 p -145.23 162.87 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LEU . . . -173.54 114.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 3.4 mp 70.34 120.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.562 1.822 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.1 m -97.84 128.11 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -30.02 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.81 22.9 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -111.1 -4.01 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 p -111.57 -24.05 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.7 mt-10 -89.8 13.51 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.46 -36.54 0.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.3 mtt180 -71.99 -71.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.79 39.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -59.3 -47.09 86.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.604 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.27 -56.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -49.0 -40.72 31.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.6 mp0 -60.19 -59.67 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.683 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -49.83 -36.32 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.4 tttt -59.46 -14.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.12 -39.19 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 62' ' ' ILE . 40.6 mt -54.78 -42.56 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 40.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.6 m-85 -145.69 -158.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.89 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.948 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.9 t-20 -40.24 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.78 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 ttm180 -64.95 -49.7 69.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.08 -46.15 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.43 -44.76 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.775 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.3 m-20 -57.43 -39.83 77.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -69.97 -63.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -36.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.26 -45.7 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -55.72 -56.41 20.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -57.31 -29.86 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.33 -25.93 67.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 50' ' ' ALA . 50.1 p -106.38 7.89 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 80.23 10.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 98.38 44.79 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.2 t0 -111.39 81.48 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.683 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.4 tt -40.1 -37.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.3 m80 -58.64 -60.64 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -67.85 -22.52 65.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.38 -39.57 77.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.667 HD11 HD13 ' A' ' 39' ' ' LEU . 23.1 mt -52.21 -67.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.6 pt-20 -41.8 -47.11 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 69' ' ' SER . 11.5 mmm -63.05 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ILE . 22.3 mt -80.07 -22.21 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -64.46 -19.65 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.87 8.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.81 -72.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.417 ' CB ' ' SD ' ' A' ' 64' ' ' MET . 0.5 OUTLIER -113.98 174.6 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.26 157.25 30.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.81 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.84 165.33 27.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -83.8 125.05 31.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.27 -58.52 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 47.59 95.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 132.89 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -168.27 88.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -151.8 -58.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.5 72.25 0.45 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.95 123.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.64 -55.58 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.5 161.48 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -173.25 136.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.11 129.11 9.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -179.75 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.49 ' OG ' HD13 ' A' ' 19' ' ' LEU . 84.8 p -174.41 164.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.72 80.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 50.45 84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 19' ' ' LEU . 17.5 m -150.04 45.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.77 70.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD13 ' OG ' ' A' ' 14' ' ' SER . 1.9 mp -138.05 153.36 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 101.92 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.2 m -89.99 128.52 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -30.68 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.39 24.14 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.41 -5.84 15.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.607 ' C ' HD21 ' A' ' 48' ' ' LEU . 2.9 p -113.04 -22.26 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.7 mt-10 -87.15 8.17 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.16 -8.3 8.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 96.5 mtt180 -92.34 -29.69 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.1 m-85 -147.35 50.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HA ' HD12 ' A' ' 33' ' ' LEU . 7.0 pt20 -61.76 -45.79 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -63.88 -42.23 97.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.636 ' CB ' HD12 ' A' ' 58' ' ' ILE . 34.5 mp0 -49.5 -53.13 24.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.927 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.6 mt -54.2 -37.86 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.95 -38.28 79.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' CG ' ' A' ' 47' ' ' ASN . 1.1 mt -49.61 -36.36 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.44 -13.38 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.97 -37.85 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.7 mt -56.73 -41.78 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.67 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 36.2 m-85 -144.99 -161.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.14 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 8.9 t-20 -55.8 89.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.927 ' CG ' HD22 ' A' ' 33' ' ' LEU . 42.8 ttp85 -56.47 -62.32 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' OD1' ' NH2' ' A' ' 44' ' ' ARG . 1.2 m-20 -41.48 -47.3 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.17 -47.75 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.835 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.2 m-20 -55.84 -43.15 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD13 HD21 ' A' ' 33' ' ' LEU . 3.7 tp -65.96 -64.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -38.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 54' ' ' THR . . . -77.12 -52.18 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -49.64 -61.26 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.9 m -52.87 -35.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -61.78 -34.08 75.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.5 p -97.69 15.38 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t0 74.98 4.32 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 104.38 39.74 2.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -106.43 80.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.791 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.9 tt -41.97 -38.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -57.6 -48.57 79.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -75.48 -24.16 56.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.56 -42.69 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 39' ' ' LEU . 33.3 mt -49.05 -65.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 66' ' ' LEU . 10.4 pt-20 -47.99 -47.2 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.466 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.14 -25.18 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' OD1' ' A' ' 47' ' ' ASN . 13.1 mt -90.94 -30.22 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 63' ' ' GLU . 78.2 mt -59.27 -23.21 62.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 27.49 4.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.93 -74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 t -110.49 167.64 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.59 122.13 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.563 1.823 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.35 85.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.7 152.2 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -122.02 134.05 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -96.74 -57.67 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.62 59.48 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 66.81 144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.26 121.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.44 162.01 11.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.47 161.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.19 110.94 17.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.31 122.71 24.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 167.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -124.13 136.17 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.2 133.37 56.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p 179.43 134.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t 62.88 126.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 173.58 -35.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -104.42 -15.3 15.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 173.24 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -130.76 154.59 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.28 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.497 ' HB ' ' CG ' ' A' ' 24' ' ' PHE . 1.8 m -88.84 129.22 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -68.1 -41.51 81.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.92 39.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -121.92 3.06 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 t -139.35 -42.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' A' ' 48' ' ' LEU . 10.5 mt-10 -76.45 0.71 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.51 -29.56 4.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -56.75 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HE2' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -99.97 35.31 2.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -57.52 -42.58 83.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.2 -36.06 69.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.14 -53.17 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.779 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -55.98 -36.03 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.77 -40.01 76.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -60.64 -59.36 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.688 HD11 HD11 ' A' ' 51' ' ' LEU . 1.5 mt -50.04 -35.12 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.25 -12.75 14.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.08 -37.87 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.27 -42.11 76.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.43 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' CB ' ' A' ' 65' ' ' LEU . 38.3 m-85 -145.8 -161.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.26 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.49 95.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.779 ' CG ' HD22 ' A' ' 33' ' ' LEU . 2.3 ttm180 -58.81 -44.87 90.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -56.48 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -55.8 -46.25 78.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.807 ' O ' HD12 ' A' ' 51' ' ' LEU . 96.5 m-20 -57.19 -42.55 81.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -68.39 -62.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.79 -33.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.21 -51.04 8.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -51.93 -58.78 5.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.7 m -54.48 -30.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.72 -28.45 68.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.4 p -104.22 6.83 35.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.68 33.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.41 42.07 23.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -111.26 86.99 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.657 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.38 -49.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 59.9 m170 -44.75 -59.74 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.89 -22.56 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.14 -42.47 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.865 HD11 HD13 ' A' ' 39' ' ' LEU . 36.2 mt -51.37 -65.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.7 pt-20 -42.84 -46.07 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.6 mmm -65.66 -33.53 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.562 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.2 mt -85.51 -12.48 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt -80.42 -13.62 58.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.19 2.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.82 -53.17 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.85 145.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.11 -149.39 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.61 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -106.35 -51.39 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.5 p 58.5 105.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.08 168.04 27.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.67 159.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.68 -162.63 27.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -175.22 133.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -103.81 -58.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.13 163.95 11.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -165.29 134.89 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -42.41 136.74 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.75 -61.59 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.51 142.19 34.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.238 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -173.98 -59.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 39.31 74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.79 80.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -167.62 -68.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 73.52 83.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -140.66 92.33 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.26 170.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.93 162.48 57.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' THR . 18.4 Cg_endo -75.0 54.02 3.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.451 HG22 ' HB2' ' A' ' 24' ' ' PHE . 2.1 m 36.13 76.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 98.0 p -66.52 -22.16 66.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.69 2.66 25.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -114.52 -7.26 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.13 -20.33 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 4.7 mt-10 -87.6 4.12 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.29 -30.84 2.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 8.2 mtt-85 -72.98 -71.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.98 40.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.13 -44.55 92.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -68.51 -36.34 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.74 -55.33 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.764 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.9 mt -52.15 -38.76 58.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.85 -38.36 86.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -61.65 -59.59 4.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.77 -35.32 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.3 ttpt -60.92 -12.76 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.15 -37.8 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD11 ' A' ' 62' ' ' ILE . 25.6 mt -56.07 -42.43 76.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.4 40.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -147.65 -158.71 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 176.99 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 55.0 t-20 -59.39 84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.764 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.2 ttm105 -47.21 -47.11 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -64.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -50.39 -46.88 56.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 51' ' ' LEU . 90.7 m-20 -54.69 -44.82 73.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 33' ' ' LEU . 4.4 tp -67.81 -62.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -37.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.98 -42.97 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -59.16 -57.65 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 28.3 m -54.2 -36.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -60.84 -25.58 66.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 50' ' ' ALA . 65.1 p -106.98 9.08 30.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.08 22.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 38.38 7.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 5.5 t0 -104.79 89.53 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.66 -44.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -54.3 -62.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -65.03 -14.15 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -81.98 -43.81 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.959 HD11 HD13 ' A' ' 39' ' ' LEU . 28.6 mt -48.06 -59.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -45.77 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.1 mtp -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -94.2 -15.82 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt -76.25 -13.21 60.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.92 40.72 3.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.25 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -125.65 167.12 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.63 154.55 25.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 81.73 2.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.2 p -172.1 137.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -54.84 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 61.63 145.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -98.9 143.61 29.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.168 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 146.77 18.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.057 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -109.54 110.41 21.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -142.42 161.36 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.72 -91.11 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.86 96.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 0.788 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -79.16 128.25 33.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . 75.48 -61.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 65.99 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.342 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -41.11 117.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -93.43 142.84 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.8 p -136.4 162.25 33.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.9 t 61.2 101.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -92.87 120.41 33.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 65.5 m -135.76 146.06 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 66.75 174.57 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.82 153.5 80.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 102.66 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.452 ' HB ' ' CG ' ' A' ' 24' ' ' PHE . 1.8 m -82.24 128.89 34.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.416 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 p -66.2 -42.19 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.7 41.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.452 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -127.76 3.57 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.3 t -140.99 -42.49 0.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.39 0.34 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.61 5.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -83.02 -57.49 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.484 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -98.99 37.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -59.3 -45.62 90.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -70.45 -35.21 73.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.85 -53.55 24.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -54.57 -38.07 66.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 3.3 mt-10 -67.41 -39.69 85.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.763 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.85 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 47' ' ' ASN . 1.3 mt -49.55 -34.88 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.0 tttt -60.62 -13.53 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.55 -37.63 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 62' ' ' ILE . 24.1 mt -56.03 -42.45 76.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.43 40.36 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.6 m-85 -146.74 -159.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.87 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.793 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -47.39 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.784 ' CG ' HD22 ' A' ' 33' ' ' LEU . 10.2 ttm180 -56.87 -46.91 81.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.46 -57.15 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -56.17 -47.06 79.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.728 ' O ' HD12 ' A' ' 51' ' ' LEU . 95.0 m-20 -56.21 -40.72 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 33' ' ' LEU . 4.9 tp -70.09 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -33.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.15 -49.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -53.45 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.9 m -53.03 -27.59 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -72.43 -34.55 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.0 p -95.7 5.8 50.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.0 t0 78.49 25.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 82.98 50.28 4.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 3.4 t70 -119.4 85.01 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.0 tt -40.92 -46.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -49.97 -62.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.608 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -66.17 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.64 -45.54 58.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 39' ' ' LEU . 48.2 mt -49.38 -63.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 14.9 pt-20 -44.35 -47.48 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.5 mmm -64.77 -35.15 80.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 20.2 mt -83.46 -10.77 58.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 62' ' ' ILE . 43.9 mt -82.71 -14.88 53.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.35 40.07 1.7 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.55 65.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -66.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.47 166.97 39.11 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.22 3.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -57.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.8 t -78.58 127.77 32.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.79 87.1 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.03 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -112.16 124.77 53.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -166.14 11.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.83 118.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.026 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p -94.91 170.07 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.07 178.78 16.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.49 169.51 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.51 97.21 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.82 168.18 18.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.09 72.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t 75.53 -59.43 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 179.27 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.99 83.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.9 p -174.34 139.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 77.3 -61.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 17' ' ' THR . 53.3 m -89.51 41.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 111.05 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.92 155.11 81.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.509 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -92.39 130.11 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -39.33 -43.79 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.8 -43.65 65.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 4.8 m-85 -58.23 -16.77 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 22' ' ' SER . 9.0 t -112.9 -27.21 8.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 31.7 mt-10 -81.57 1.11 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.59 -23.94 4.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.113 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' PHE . 7.5 mtt-85 -78.96 -60.95 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CZ ' ' HA3' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -97.43 38.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -59.61 -44.2 93.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.95 -35.12 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.651 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.22 -56.01 12.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.821 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 mt -49.95 -39.35 40.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.18 -35.42 76.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -62.06 -59.38 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD13 ' CG ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -50.03 -33.99 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -60.05 -14.49 16.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.91 -37.7 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.035 HD13 HD11 ' A' ' 62' ' ' ILE . 36.3 mt -55.96 -42.2 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.84 40.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -145.71 -161.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.23 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.885 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 7.6 t-20 -54.43 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.821 ' HG3' HD22 ' A' ' 33' ' ' LEU . 19.0 ttp-105 -52.99 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.16 -49.4 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.05 -49.05 77.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.783 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.4 m-20 -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -67.88 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -34.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.92 -47.53 14.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -56.04 -55.63 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.8 m -57.31 -26.85 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -71.69 -29.0 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.0 p -102.13 1.27 36.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t0 79.94 36.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 74.65 51.48 8.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.19 82.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.658 HD11 ' HG ' ' A' ' 36' ' ' LEU . 4.3 tt -41.89 -49.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 62.5 m-70 -46.47 -57.33 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.78 -22.67 64.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.48 -47.87 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.035 HD11 HD13 ' A' ' 39' ' ' LEU . 34.9 mt -48.07 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -45.41 -47.85 13.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -64.25 -34.44 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 14.0 mt -81.78 -18.34 44.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ILE . 51.5 mt -73.62 -14.12 61.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.4 41.46 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.87 51.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 166.11 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.8 -81.34 0.97 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.92 42.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -123.79 114.79 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.59 103.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -150.33 -58.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -59.13 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.12 -174.45 4.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -98.97 108.18 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -172.77 150.4 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.37 -157.17 6.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.98 158.75 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 163.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.58 166.54 24.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.61 158.74 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -145.05 118.36 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.05 -64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 148.93 29.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 p -108.44 74.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 p 39.68 90.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.45 79.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.58 161.43 63.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 107.02 2.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -100.43 132.8 45.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.378 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.706 ' O ' HG22 ' A' ' 25' ' ' THR . 26.6 m -40.57 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -46.16 -32.98 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 m-85 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 22' ' ' SER . 9.8 t -175.53 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' CD2' ' A' ' 48' ' ' LEU . 75.4 mt-10 -77.07 -0.59 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.67 -26.38 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.21 -67.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.525 ' CZ ' ' HA3' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -88.33 39.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.99 -45.78 89.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.61 -38.16 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 58' ' ' ILE . 12.0 mp0 -49.78 -56.26 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.776 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -50.31 -39.52 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.2 mt-10 -68.04 -37.36 81.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.43 -59.27 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.58 -35.54 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 15.8 ttmt -60.48 -13.3 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.56 -37.57 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.875 HD13 HD11 ' A' ' 62' ' ' ILE . 24.8 mt -56.82 -41.88 78.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE1' ' CB ' ' A' ' 65' ' ' LEU . 33.2 m-85 -146.76 -159.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.71 -57.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.74 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -42.83 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.776 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.64 -47.07 87.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -53.95 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -59.36 -43.52 92.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.729 ' O ' HD12 ' A' ' 51' ' ' LEU . 75.4 m-20 -58.64 -41.07 85.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD13 HD21 ' A' ' 33' ' ' LEU . 4.7 tp -70.05 -62.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -38.72 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -83.94 -49.89 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.09 -57.33 9.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -55.93 -26.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.23 -27.63 64.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.517 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 39.9 p -104.86 6.04 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 79.56 36.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.525 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 75.84 27.61 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.16 90.16 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 36' ' ' LEU . 7.5 tt -48.66 -47.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 40.1 m80 -44.38 -58.69 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -68.86 -23.3 64.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.67 -43.69 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.875 HD11 HD13 ' A' ' 39' ' ' LEU . 62.2 mt -52.0 -65.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -43.2 -46.6 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -65.29 -32.08 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.573 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -88.06 -10.24 50.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.9 mt -83.42 -9.14 59.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.56 41.37 2.36 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.53 59.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.34 133.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.84 102.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.78 150.36 39.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.8 p 173.36 130.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 110.952 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m 61.28 143.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -89.24 144.62 25.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.09 -135.84 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t 62.34 166.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.14 147.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 61.11 1.76 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.8 63.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.25 147.94 51.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 123.51 39.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.75 -62.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t 62.41 132.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.28 166.95 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t 60.41 170.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 -57.04 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -44.91 140.87 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -103.18 165.52 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' HD12 ' A' ' 19' ' ' LEU . . . -111.28 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 18' ' ' ALA . 6.1 mp -131.31 153.13 81.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -79.47 127.86 32.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 p -57.83 -30.0 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.42 7.31 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -115.18 0.97 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 t -143.12 -43.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 42.8 mt-10 -77.0 1.26 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.19 -24.03 5.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -87.46 -61.5 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -94.59 34.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.66 -43.32 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.49 -33.08 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.35 -54.16 23.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.801 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.2 mt -52.05 -39.83 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.18 -41.24 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -57.77 -60.02 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.53 -38.13 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 16.3 tttt -59.37 -13.93 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.17 -39.1 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 62' ' ' ILE . 27.4 mt -54.88 -42.51 72.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.76 39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.672 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.2 m-85 -147.61 -154.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 111.063 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 178.52 -55.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.891 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.7 t-20 -40.27 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.801 ' CG ' HD22 ' A' ' 33' ' ' LEU . 6.4 ttm180 -62.91 -46.47 87.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -51.0 71.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.891 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.18 -42.61 99.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -60.11 -42.9 95.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.725 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -68.26 -62.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -34.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.82 -51.56 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.01 -60.38 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -51.87 -27.87 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.6 -42.43 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 50' ' ' ALA . 16.0 p -88.89 7.3 35.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.392 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.7 OUTLIER 75.34 33.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 36.11 20.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.6 t0 -103.38 90.11 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.661 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.0 tt -54.38 -41.23 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -55.44 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -68.45 -26.02 65.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -66.15 -42.57 88.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.681 HD11 HD13 ' A' ' 39' ' ' LEU . 21.8 mt -50.34 -68.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.1 pt-20 -43.83 -45.7 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.4 mtp -63.28 -33.15 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' A' ' 47' ' ' ASN . 24.6 mt -84.58 -24.71 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -62.22 -24.53 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 27.06 3.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.86 -78.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.39 179.75 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.52 -132.65 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -93.36 159.6 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -101.32 145.91 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.19 89.69 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -156.19 -58.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.32 156.31 2.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -82.42 137.59 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t 66.38 111.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.2 -140.84 6.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.46 101.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.09 143.69 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.29 101.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.09 118.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -176.01 138.49 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.44 156.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -148.34 176.4 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -42.49 124.74 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' THR . 54.4 m -158.46 45.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 67.2 -170.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.653 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -130.55 159.99 68.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 24' ' ' PHE . 4.3 m 44.11 92.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.97 59.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -91.36 18.9 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.1 OUTLIER -117.13 3.18 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.045 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -113.8 -21.62 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 28.5 mt-10 -89.79 12.52 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.22 -35.78 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.563 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -70.59 -73.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -88.05 40.25 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 8.0 tt0 -58.32 -48.93 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -64.19 -37.09 86.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 58' ' ' ILE . 5.3 mp0 -51.67 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -47.51 -40.25 18.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.48 -38.44 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -59.61 -59.13 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -49.52 -37.59 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -59.4 -14.02 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.11 -39.04 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 62' ' ' ILE . 26.3 mt -55.18 -42.39 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 28.5 m-85 -145.91 -157.96 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.57 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.781 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.1 t-20 -40.15 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.6 ttm180 -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -50.0 74.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.46 -40.39 95.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.778 ' O ' HD12 ' A' ' 51' ' ' LEU . 85.6 m-20 -61.0 -38.58 86.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -71.55 -62.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -36.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.19 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -50.36 -59.92 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -54.65 -28.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.72 -31.32 69.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' ALA . 25.2 p -102.73 14.82 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.54 31.62 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 80.51 36.12 24.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -103.5 83.54 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 36' ' ' LEU . 13.3 tt -47.19 -36.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -58.71 -57.4 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.578 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.16 61.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -77.97 -38.76 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -52.06 -66.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.2 -45.4 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.539 ' CE ' ' HB3' ' A' ' 53' ' ' ALA . 1.9 mtp -63.45 -31.34 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 47' ' ' ASN . 26.1 mt -86.67 -25.1 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -60.76 -20.47 61.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.33 4.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.147 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.71 -71.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.99 141.61 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.94 -84.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.35 18.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 t -76.41 170.81 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.01 -66.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -129.6 -58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.31 129.21 7.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.34 -70.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.32 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -93.44 159.54 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.92 -161.23 34.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.4 62.55 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 -64.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.18 139.43 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -167.16 146.8 5.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.84 151.46 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.3 99.46 12.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.9 m -66.45 169.73 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -74.33 167.51 21.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -50.97 165.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -69.39 169.28 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.38 164.81 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 5.0 mp -131.35 149.78 74.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.03 102.09 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 24' ' ' PHE . 1.3 m -91.14 129.11 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -44.07 88.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -64.08 -12.86 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' H ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -87.43 0.23 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 111.043 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 t -139.03 -42.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 30.1 mt-10 -74.94 -1.39 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.32 -19.34 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -55.76 5.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.697 ' CE1' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -114.0 48.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.5 tt0 -61.11 -55.48 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.49 -41.82 70.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -52.53 -56.18 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -52.3 -38.57 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.5 -39.49 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.819 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.58 -59.59 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.54 -35.58 20.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -61.28 -13.04 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.49 -37.9 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.993 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.16 -42.08 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.41 40.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 42.1 m-85 -144.5 -163.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -175.47 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -55.07 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.756 ' HG3' HD22 ' A' ' 33' ' ' LEU . 2.5 ttm180 -58.66 -43.6 89.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.51 -55.24 37.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -58.84 -48.61 80.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.823 ' O ' HD12 ' A' ' 51' ' ' LEU . 86.2 m-20 -53.64 -42.87 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 33' ' ' LEU . 3.8 tp -66.47 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -41.44 -36.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.835 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.16 -49.66 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.49 -56.39 17.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.697 HG12 ' CE1' ' A' ' 29' ' ' TYR . 27.9 m -57.34 -33.35 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -64.55 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 50' ' ' ALA . 18.4 p -99.95 -1.19 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t70 82.15 26.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.18 6.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -109.34 76.97 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' GLU . 12.0 tt -40.33 -47.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -51.41 -51.16 57.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -73.32 -20.9 60.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.58 -47.37 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.993 HD11 HD13 ' A' ' 39' ' ' LEU . 41.8 mt -45.62 -62.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.596 ' HA ' HD12 ' A' ' 66' ' ' LEU . 12.6 pt-20 -48.84 -47.15 42.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 54' ' ' THR . 56.8 mtp -64.65 -30.54 71.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 47' ' ' ASN . 8.4 mt -84.83 -22.67 29.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 63' ' ' GLU . 64.1 mt -68.1 -17.29 64.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.97 32.41 5.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.9 -46.1 9.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 170.01 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.79 116.87 7.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t 57.82 96.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.051 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -156.87 165.47 36.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -100.92 87.97 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.91 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.7 176.24 48.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -133.55 95.03 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.55 86.28 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.12 158.61 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.63 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 158.37 43.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.92 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.82 119.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 108.277 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 162.08 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -83.41 126.86 33.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -148.96 -58.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 112.74 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -57.13 163.76 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 15.0 t -90.85 156.98 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 76.1 93.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -113.38 127.92 26.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.02 6.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.763 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.464 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 2.1 m -94.92 117.99 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -62.24 -36.08 80.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 21' ' ' THR . 0.3 OUTLIER -70.13 -6.3 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -106.27 2.59 26.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -112.92 -21.39 11.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.424 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 22.2 mt-10 -83.19 -0.98 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.33 -17.23 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.44 -62.95 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.497 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -101.81 41.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.42 -46.7 87.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.76 -37.66 86.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.64 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.03 -56.8 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -49.9 -40.2 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.65 -39.01 88.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.826 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.43 -59.94 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.2 mt -49.58 -36.32 23.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -60.35 -13.75 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.74 -38.41 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.826 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.52 -42.09 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.0 m-85 -146.74 -158.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.53 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 28.0 t-20 -54.75 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.757 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.6 ttm180 -57.4 -45.02 85.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.56 -57.9 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -57.87 -44.5 86.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.7 m-20 -56.66 -40.34 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -71.25 -62.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -36.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.38 -49.3 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.8 mt -52.59 -55.47 22.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 27.5 m -57.91 -28.25 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.19 -27.75 64.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 50' ' ' ALA . 14.2 p -99.9 4.4 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t70 81.26 14.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 96.76 32.01 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 84.86 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.816 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.5 tt -43.21 -48.21 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 57.9 m80 -46.09 -54.42 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -71.92 -23.56 61.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.63 -41.14 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.627 ' O ' HD13 ' A' ' 66' ' ' LEU . 36.5 mt -51.14 -68.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.5 pt-20 -41.52 -47.05 3.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 mmm -63.55 -36.77 84.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.2 mt -79.4 -20.82 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 62' ' ' ILE . 3.7 mp -69.38 -16.13 63.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 25.97 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.2 -66.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.73 153.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.0 -85.07 1.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 111.08 3.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.74 164.88 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -102.24 135.8 43.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -77.76 141.19 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -135.09 92.36 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.45 -148.12 6.47 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -169.56 169.09 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -152.3 169.38 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.02 147.83 18.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.38 173.3 3.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.8 168.22 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.43 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.52 162.37 40.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 p -154.28 -51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -39.26 -58.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 126.79 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -165.96 -59.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -160.52 90.03 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.421 ' O ' HG22 ' A' ' 17' ' ' THR . 98.9 m -105.02 44.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.61 150.1 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.97 154.35 81.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 64.67 6.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -75.4 124.88 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -54.9 -31.09 59.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.19 4.81 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' N ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -119.39 0.32 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.511 ' C ' HD21 ' A' ' 48' ' ' LEU . 11.0 p -109.92 -25.02 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.9 mt-10 -88.76 13.51 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.43 -36.54 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -68.65 -73.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.9 m-85 -88.04 41.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -57.29 -51.07 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -61.58 -40.14 93.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' CB ' HD12 ' A' ' 58' ' ' ILE . 11.2 mp0 -49.34 -58.01 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.748 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.5 mt -49.23 -40.14 32.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.75 -39.19 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.844 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.82 -59.69 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.684 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.73 -36.64 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -60.16 -13.55 12.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.95 -38.81 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.844 HD21 ' OE2' ' A' ' 35' ' ' GLU . 25.3 mt -55.43 -42.15 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 26.4 m-85 -146.62 -157.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.37 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.5 t-20 -43.31 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.748 ' HG3' HD22 ' A' ' 33' ' ' LEU . 6.1 ttm180 -65.35 -44.97 86.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -48.81 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.5 -45.89 81.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.779 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.1 m-20 -55.86 -37.37 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 33' ' ' LEU . 4.8 tp -72.61 -61.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -36.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.9 10.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -49.54 -58.46 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG12 ' HE2' ' A' ' 29' ' ' TYR . 24.1 m -56.81 -22.07 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -76.9 -28.14 55.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 53.7 p -105.89 14.37 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.63 28.54 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 82.49 41.03 9.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t0 -107.9 89.99 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.684 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.5 tt -51.4 -34.55 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -61.61 -53.36 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -76.03 -14.13 60.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -79.16 -39.76 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 39' ' ' LEU . 21.5 mt -50.03 -65.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -45.84 -46.12 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.401 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 68.2 mtp -63.96 -29.42 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 47' ' ' ASN . 16.0 mt -87.5 -25.97 23.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -58.99 -23.58 61.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.22 5.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.04 -69.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 t -76.63 -56.46 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.02 121.78 1.71 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.18 3.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.5 m 61.69 93.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.65 147.5 46.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.3 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -63.02 -38.38 90.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' CB ' HD12 ' A' ' 58' ' ' ILE . 6.8 mp0 -52.33 -59.3 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.932 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.9 mt -45.91 -41.09 11.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.19 -36.09 81.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.7 mp0 -61.78 -59.51 5.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.86 -33.95 18.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -60.2 -14.42 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 -37.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.962 HD13 HD11 ' A' ' 62' ' ' ILE . 31.1 mt -56.87 -42.17 79.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 40.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -145.5 -161.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.67 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.428 ' CG ' ' CB ' ' A' ' 46' ' ' ALA . 52.2 t-20 -60.14 84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.932 ' CG ' HD22 ' A' ' 33' ' ' LEU . 33.1 ttp180 -50.14 -60.45 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.93 -53.67 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 43' ' ' ASN . . . -63.01 -44.56 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.871 ' O ' HD12 ' A' ' 51' ' ' LEU . 77.6 m-20 -56.94 -37.5 71.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -72.49 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -36.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.86 -49.04 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.01 -59.97 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -51.43 -31.65 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.56 -31.65 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 50' ' ' ALA . 7.5 p -101.58 21.16 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 69.3 21.65 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.21 22.33 48.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -89.98 90.25 8.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -44.17 -44.68 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -47.73 -59.67 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -66.72 -25.88 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.35 -44.53 78.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD13 ' A' ' 39' ' ' LEU . 58.1 mt -51.09 -66.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.9 pt-20 -43.41 -46.56 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.3 mmm -65.49 -32.81 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 28.9 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.294 -0.262 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -66.27 -37.95 86.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.32 -57.87 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.0 mt -47.98 -41.12 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.19 -39.5 89.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.11 -60.12 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.14 -37.6 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -59.23 -14.25 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.25 -39.23 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.767 HD21 ' OE2' ' A' ' 35' ' ' GLU . 36.3 mt -54.5 -42.78 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.86 40.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.9 m-85 -147.13 -156.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.96 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.843 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.2 t-20 -44.91 96.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.752 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.9 ttm180 -63.26 -45.89 89.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -50.17 74.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.843 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -63.66 -45.44 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.856 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.5 m-20 -56.99 -39.48 74.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -70.59 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -36.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.12 -51.03 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -52.43 -59.39 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.5 m -52.83 -26.07 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -73.97 -38.03 64.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 50' ' ' ALA . 8.5 p -91.36 9.05 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.7 t70 80.19 7.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . 101.71 38.48 3.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -104.6 84.37 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 35' ' ' GLU . 13.7 tt -40.35 -42.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -54.07 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.595 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -64.23 -22.53 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.51 -41.75 75.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 39' ' ' LEU . 42.4 mt -51.37 -67.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -42.25 -47.43 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.7 mmm -62.73 -35.52 80.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 47' ' ' ASN . 13.5 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -58.78 -39.56 81.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.8 mp0 -53.47 -59.97 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -48.22 -39.33 20.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.46 -37.26 77.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.733 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.6 -59.67 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.21 -37.93 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -59.16 -14.47 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.733 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.78 -42.0 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.07 40.5 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 29.3 m-85 -145.74 -158.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.0 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 3.5 t-20 -43.22 97.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.766 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.74 -41.88 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -49.13 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.09 -43.63 94.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.899 ' O ' HD12 ' A' ' 51' ' ' LEU . 84.6 m-20 -57.88 -41.65 82.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HD21 ' A' ' 33' ' ' LEU . 4.0 tp -67.53 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -38.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . . . -76.36 -52.32 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -51.01 -61.12 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.6 m -51.57 -30.95 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.8 -39.85 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 50' ' ' ALA . 9.9 p -88.37 8.62 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 74.7 21.41 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.21 13.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.62 76.71 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 32' ' ' GLU . 4.6 tt -41.19 -34.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.75 -58.04 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.625 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.19 -24.89 64.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.12 -38.85 86.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 39' ' ' LEU . 20.0 mt -52.09 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.6 pt-20 -44.33 -46.11 9.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.527 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.08 -29.01 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ILE . 12.0 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.15 -38.05 87.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.626 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.86 -56.09 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 mt -51.24 -39.27 56.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.17 -38.78 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.891 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.97 -58.89 6.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -49.67 -36.87 26.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -60.17 -13.34 11.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.98 -38.52 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.891 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.8 mt -56.14 -42.0 76.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 40.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 31.3 m-85 -145.82 -158.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.0 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.863 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -42.93 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.747 ' HG3' HD22 ' A' ' 33' ' ' LEU . 4.2 ttm180 -65.77 -44.64 85.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.79 -47.59 85.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.35 -44.4 83.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -57.93 -36.03 71.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -74.01 -61.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -36.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.15 -51.26 10.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -48.71 -60.35 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.35 -23.63 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -75.03 -28.44 60.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' ALA . 23.5 p -104.61 7.31 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.5 t0 79.34 20.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.26 40.26 5.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -107.92 89.45 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.768 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.6 tt -49.82 -38.23 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -56.37 -57.26 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -71.91 -21.48 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.32 -40.16 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 ' HZ ' ' A' ' 41' ' ' PHE . 25.3 mt -51.04 -67.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -42.91 -47.9 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.1 -33.15 73.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 47' ' ' ASN . 14.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' LEU . 9.9 tt0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.72 -42.76 93.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 mp0 -52.08 -59.38 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.778 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -45.65 -41.68 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.36 -36.69 79.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -59.57 -59.57 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.899 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.1 mt -49.85 -35.85 24.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -59.64 -14.85 15.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.5 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.697 HD13 HD11 ' A' ' 62' ' ' ILE . 45.7 mt -54.5 -42.23 70.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.84 39.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.9 m-85 -143.96 -160.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -173.19 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 2.5 m120 -39.64 98.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.778 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.4 ttm180 -67.3 -45.02 77.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -45.22 89.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.85 -47.97 70.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.86 ' O ' HD12 ' A' ' 51' ' ' LEU . 67.3 m-20 -53.34 -39.28 63.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -69.37 -63.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -38.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.71 -50.9 10.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -50.29 -57.06 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.3 m -57.76 -23.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -77.14 -35.85 55.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.5 p -90.32 7.25 39.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.17 22.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.92 26.87 25.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.6 m-20 -99.83 78.6 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.899 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -40.15 -33.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -58.45 -57.84 11.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -72.8 -14.1 61.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -78.77 -38.23 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.697 HD11 HD13 ' A' ' 39' ' ' LEU . 11.8 mt -52.72 -65.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -43.32 -48.53 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.2 mmm -61.41 -34.03 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.4 mt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -69.55 -34.98 74.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.23 -55.82 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.967 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -50.82 -38.59 49.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.4 mp0 -63.73 -59.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.5 mt -49.99 -33.88 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.38 -13.91 15.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.63 -36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 62' ' ' ILE . 32.5 mt -57.32 -41.86 80.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.12 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.2 m-85 -145.74 -161.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.63 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.82 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 6.4 t-20 -55.89 88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.967 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.3 ttp180 -53.1 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.39 -49.71 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.82 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.96 -43.65 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.91 ' O ' HD12 ' A' ' 51' ' ' LEU . 83.5 m-20 -58.42 -40.0 81.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -69.66 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.08 -35.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.77 -48.58 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.91 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -54.72 -56.99 13.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.8 m -54.33 -29.72 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.34 -34.54 72.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 50' ' ' ALA . 11.1 p -92.44 5.74 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.4 t0 77.98 25.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.69 32.65 23.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.16 83.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.3 tt -40.57 -38.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -53.49 -58.51 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.751 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -71.11 -13.0 61.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -80.03 -43.24 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.946 HD11 HD13 ' A' ' 39' ' ' LEU . 33.7 mt -50.56 -61.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.24 -48.55 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 mmm -63.82 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.8 mt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.26 -43.6 97.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.6 mp0 -49.15 -56.21 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.907 HD22 ' CG ' ' A' ' 44' ' ' ARG . 3.0 mt -49.93 -40.19 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.92 -38.44 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.691 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.07 -59.34 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.1 -37.72 22.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.11 -14.1 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.49 -38.46 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 62' ' ' ILE . 27.8 mt -55.8 -42.28 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.32 40.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 24.3 m-85 -146.95 -157.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 177.38 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.73 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -53.99 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.907 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.1 ttp180 -57.85 -62.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.44 -45.53 3.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -69.75 -45.54 67.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.855 ' O ' HD12 ' A' ' 51' ' ' LEU . 79.9 m-20 -57.2 -36.54 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -72.91 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -34.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -82.09 -48.25 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.7 mt -52.73 -55.26 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -58.78 -26.67 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.12 -26.14 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 50' ' ' ALA . 47.5 p -106.08 12.65 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t0 75.06 18.24 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.36 36.44 6.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 7.8 t0 -104.18 81.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.0 tt -39.91 -45.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.57 -57.81 8.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -69.32 -22.02 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -51.96 -67.0 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 11.9 pt-20 -41.8 -48.17 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmm -62.25 -36.58 82.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.0 mt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.6 tt0 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.06 -46.38 84.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.658 ' CB ' HD12 ' A' ' 58' ' ' ILE . 3.2 mp0 -50.99 -58.15 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.738 HD22 ' HG3' ' A' ' 44' ' ' ARG . 4.9 mt -46.67 -41.25 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.05 -37.55 81.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.5 mp0 -61.04 -58.85 6.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.8 -36.77 27.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.71 -14.47 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -112.83 -39.36 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 62' ' ' ILE . 45.2 mt -54.2 -42.83 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.63 39.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 35.5 m-85 -144.42 -160.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.22 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.718 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -53.47 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HG3' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.89 -42.66 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.95 -53.98 52.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -61.26 -46.14 91.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 51' ' ' LEU . 72.5 m-20 -55.31 -34.68 64.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -75.92 -61.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -33.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 54' ' ' THR . . . -82.21 -47.47 12.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -54.12 -53.33 54.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 48' ' ' LEU . 21.4 m -61.84 -20.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -78.59 -28.34 45.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.3 p -102.64 12.81 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.24 16.72 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.31 54.65 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t70 -122.75 77.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.759 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.2 tt -39.16 -41.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -55.22 -56.89 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.589 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -70.79 -22.53 62.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.86 -42.62 73.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.766 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -48.22 -67.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.3 pt-20 -44.28 -47.15 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.429 ' SD ' HG22 ' A' ' 54' ' ' THR . 51.5 mtp -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.578 HD13 ' OD1' ' A' ' 47' ' ' ASN . 8.3 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.604 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.27 -56.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -49.0 -40.72 31.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.6 mp0 -60.19 -59.67 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.683 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -49.83 -36.32 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.4 tttt -59.46 -14.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.12 -39.19 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 62' ' ' ILE . 40.6 mt -54.78 -42.56 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 40.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.6 m-85 -145.69 -158.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.89 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.948 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -40.24 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.78 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 ttm180 -64.95 -49.7 69.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.08 -46.15 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.43 -44.76 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.775 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.3 m-20 -57.43 -39.83 77.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -69.97 -63.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -36.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.26 -45.7 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -55.72 -56.41 20.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -57.31 -29.86 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.33 -25.93 67.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 50' ' ' ALA . 50.1 p -106.38 7.89 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 80.23 10.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.38 44.79 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.2 t0 -111.39 81.48 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.683 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.4 tt -40.1 -37.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -58.64 -60.64 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -67.85 -22.52 65.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.38 -39.57 77.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.667 HD11 HD13 ' A' ' 39' ' ' LEU . 23.1 mt -52.21 -67.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.6 pt-20 -41.8 -47.11 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.5 mmm -63.05 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ILE . 22.3 mt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HA ' HD12 ' A' ' 33' ' ' LEU . 7.0 pt20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -63.88 -42.23 97.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.636 ' CB ' HD12 ' A' ' 58' ' ' ILE . 34.5 mp0 -49.5 -53.13 24.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.927 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.6 mt -54.2 -37.86 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.95 -38.28 79.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' CG ' ' A' ' 47' ' ' ASN . 1.1 mt -49.61 -36.36 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.44 -13.38 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.97 -37.85 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.7 mt -56.73 -41.78 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.67 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 36.2 m-85 -144.99 -161.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.14 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 8.9 t-20 -55.8 89.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.927 ' CG ' HD22 ' A' ' 33' ' ' LEU . 42.8 ttp85 -56.47 -62.32 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.403 ' OD1' ' NH2' ' A' ' 44' ' ' ARG . 1.2 m-20 -41.48 -47.3 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.17 -47.75 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.835 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.2 m-20 -55.84 -43.15 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD13 HD21 ' A' ' 33' ' ' LEU . 3.7 tp -65.96 -64.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -38.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 54' ' ' THR . . . -77.12 -52.18 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -49.64 -61.26 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.9 m -52.87 -35.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -61.78 -34.08 75.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.5 p -97.69 15.38 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t0 74.98 4.32 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 51' ' ' LEU . . . 104.38 39.74 2.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -106.43 80.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.791 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.9 tt -41.97 -38.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -57.6 -48.57 79.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -75.48 -24.16 56.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.56 -42.69 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 39' ' ' LEU . 33.3 mt -49.05 -65.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -47.99 -47.2 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.466 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.14 -25.18 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' OD1' ' A' ' 47' ' ' ASN . 13.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.2 -36.06 69.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.14 -53.17 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.779 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -55.98 -36.03 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.77 -40.01 76.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -60.64 -59.36 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.688 HD11 HD11 ' A' ' 51' ' ' LEU . 1.5 mt -50.04 -35.12 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.25 -12.75 14.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.08 -37.87 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.27 -42.11 76.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.43 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' CB ' ' A' ' 65' ' ' LEU . 38.3 m-85 -145.8 -161.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.26 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.49 95.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.779 ' CG ' HD22 ' A' ' 33' ' ' LEU . 2.3 ttm180 -58.81 -44.87 90.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -56.48 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -55.8 -46.25 78.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.807 ' O ' HD12 ' A' ' 51' ' ' LEU . 96.5 m-20 -57.19 -42.55 81.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -68.39 -62.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.79 -33.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.21 -51.04 8.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -51.93 -58.78 5.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.7 m -54.48 -30.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.72 -28.45 68.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.4 p -104.22 6.83 35.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.68 33.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.41 42.07 23.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -111.26 86.99 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.657 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.38 -49.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 59.9 m170 -44.75 -59.74 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.89 -22.56 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.14 -42.47 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.865 HD11 HD13 ' A' ' 39' ' ' LEU . 36.2 mt -51.37 -65.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.7 pt-20 -42.84 -46.07 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.6 mmm -65.66 -33.53 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.562 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.2 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -68.51 -36.34 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.74 -55.33 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.764 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.9 mt -52.15 -38.76 58.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.85 -38.36 86.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -61.65 -59.59 4.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.77 -35.32 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.3 ttpt -60.92 -12.76 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.15 -37.8 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD11 ' A' ' 62' ' ' ILE . 25.6 mt -56.07 -42.43 76.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.4 40.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -147.65 -158.71 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 176.99 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 55.0 t-20 -59.39 84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.764 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.2 ttm105 -47.21 -47.11 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -64.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -50.39 -46.88 56.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 51' ' ' LEU . 90.7 m-20 -54.69 -44.82 73.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 33' ' ' LEU . 4.4 tp -67.81 -62.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -37.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.98 -42.97 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -59.16 -57.65 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 28.3 m -54.2 -36.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -60.84 -25.58 66.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 50' ' ' ALA . 65.1 p -106.98 9.08 30.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.08 22.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 38.38 7.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 5.5 t0 -104.79 89.53 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.66 -44.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -54.3 -62.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -65.03 -14.15 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -81.98 -43.81 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.959 HD11 HD13 ' A' ' 39' ' ' LEU . 28.6 mt -48.06 -59.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -45.77 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.1 mtp -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -70.45 -35.21 73.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.85 -53.55 24.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.784 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -54.57 -38.07 66.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 3.3 mt-10 -67.41 -39.69 85.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.763 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.85 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 47' ' ' ASN . 1.3 mt -49.55 -34.88 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.0 tttt -60.62 -13.53 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.55 -37.63 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 62' ' ' ILE . 24.1 mt -56.03 -42.45 76.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.43 40.36 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.6 m-85 -146.74 -159.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.87 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.793 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -47.39 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.784 ' CG ' HD22 ' A' ' 33' ' ' LEU . 10.2 ttm180 -56.87 -46.91 81.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.46 -57.15 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -56.17 -47.06 79.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.728 ' O ' HD12 ' A' ' 51' ' ' LEU . 95.0 m-20 -56.21 -40.72 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 33' ' ' LEU . 4.9 tp -70.09 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -33.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.15 -49.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -53.45 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.9 m -53.03 -27.59 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -72.43 -34.55 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.0 p -95.7 5.8 50.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.0 t0 78.49 25.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.98 50.28 4.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 3.4 t70 -119.4 85.01 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.0 tt -40.92 -46.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -49.97 -62.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.608 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -66.17 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.64 -45.54 58.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 39' ' ' LEU . 48.2 mt -49.38 -63.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 14.9 pt-20 -44.35 -47.48 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.5 mmm -64.77 -35.15 80.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 20.2 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.95 -35.12 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.651 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.22 -56.01 12.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.821 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 mt -49.95 -39.35 40.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.18 -35.42 76.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -62.06 -59.38 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.783 HD13 ' CG ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -50.03 -33.99 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -60.05 -14.49 16.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.91 -37.7 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.035 HD13 HD11 ' A' ' 62' ' ' ILE . 36.3 mt -55.96 -42.2 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.84 40.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -145.71 -161.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.23 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.885 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 7.6 t-20 -54.43 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.821 ' HG3' HD22 ' A' ' 33' ' ' LEU . 19.0 ttp-105 -52.99 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.16 -49.4 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.05 -49.05 77.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.783 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.4 m-20 -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -67.88 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -34.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.92 -47.53 14.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -56.04 -55.63 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.8 m -57.31 -26.85 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -71.69 -29.0 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.0 p -102.13 1.27 36.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t0 79.94 36.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.65 51.48 8.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.19 82.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.658 HD11 ' HG ' ' A' ' 36' ' ' LEU . 4.3 tt -41.89 -49.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.435 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 62.5 m-70 -46.47 -57.33 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.78 -22.67 64.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.48 -47.87 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.035 HD11 HD13 ' A' ' 39' ' ' LEU . 34.9 mt -48.07 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -45.41 -47.85 13.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -64.25 -34.44 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 14.0 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.61 -38.16 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 58' ' ' ILE . 12.0 mp0 -49.78 -56.26 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.776 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -50.31 -39.52 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.2 mt-10 -68.04 -37.36 81.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.43 -59.27 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.58 -35.54 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 15.8 ttmt -60.48 -13.3 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.56 -37.57 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.875 HD13 HD11 ' A' ' 62' ' ' ILE . 24.8 mt -56.82 -41.88 78.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE1' ' CB ' ' A' ' 65' ' ' LEU . 33.2 m-85 -146.76 -159.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.71 -57.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.74 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -42.83 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.776 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.64 -47.07 87.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -53.95 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -59.36 -43.52 92.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.729 ' O ' HD12 ' A' ' 51' ' ' LEU . 75.4 m-20 -58.64 -41.07 85.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.678 HD13 HD21 ' A' ' 33' ' ' LEU . 4.7 tp -70.05 -62.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -38.72 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -83.94 -49.89 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.09 -57.33 9.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -55.93 -26.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.23 -27.63 64.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.517 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 39.9 p -104.86 6.04 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 79.56 36.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.61 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.16 90.16 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 36' ' ' LEU . 7.5 tt -48.66 -47.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 38.3 m-70 -44.38 -58.69 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -68.86 -23.3 64.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.67 -43.69 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.875 HD11 HD13 ' A' ' 39' ' ' LEU . 62.2 mt -52.0 -65.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -43.2 -46.6 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -65.29 -32.08 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.573 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.49 -33.08 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.35 -54.16 23.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.801 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.2 mt -52.05 -39.83 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.18 -41.24 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.48 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -57.77 -60.02 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.53 -38.13 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 16.3 tttt -59.37 -13.93 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.17 -39.1 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 62' ' ' ILE . 27.4 mt -54.88 -42.51 72.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.76 39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.672 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.2 m-85 -147.61 -154.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 111.063 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 178.52 -55.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.891 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.7 t-20 -40.27 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.801 ' CG ' HD22 ' A' ' 33' ' ' LEU . 6.4 ttm180 -62.91 -46.47 87.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -51.0 71.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.891 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.18 -42.61 99.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -60.11 -42.9 95.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.725 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -68.26 -62.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -34.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.82 -51.56 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.01 -60.38 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -51.87 -27.87 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.6 -42.43 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 50' ' ' ALA . 16.0 p -88.89 7.3 35.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.392 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.7 OUTLIER 75.34 33.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 36.11 20.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.6 t0 -103.38 90.11 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.661 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.0 tt -54.38 -41.23 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -55.44 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -68.45 -26.02 65.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -66.15 -42.57 88.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.681 HD11 HD13 ' A' ' 39' ' ' LEU . 21.8 mt -50.34 -68.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.1 pt-20 -43.83 -45.7 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.4 mtp -63.28 -33.15 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' A' ' 47' ' ' ASN . 24.6 mt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -64.19 -37.09 86.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 58' ' ' ILE . 5.3 mp0 -51.67 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -47.51 -40.25 18.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.48 -38.44 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -59.61 -59.13 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -49.52 -37.59 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -59.4 -14.02 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.11 -39.04 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 62' ' ' ILE . 26.3 mt -55.18 -42.39 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 28.5 m-85 -145.91 -157.96 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.57 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.781 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.1 t-20 -40.15 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.6 ttm180 -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -50.0 74.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.46 -40.39 95.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.778 ' O ' HD12 ' A' ' 51' ' ' LEU . 85.6 m-20 -61.0 -38.58 86.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -71.55 -62.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -36.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.19 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -50.36 -59.92 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -54.65 -28.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.72 -31.32 69.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' ALA . 25.2 p -102.73 14.82 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.54 31.62 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.51 36.12 24.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -103.5 83.54 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 36' ' ' LEU . 13.3 tt -47.19 -36.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -58.71 -57.4 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.578 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.16 61.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -77.97 -38.76 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -52.06 -66.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.2 -45.4 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.539 ' CE ' ' HB3' ' A' ' 53' ' ' ALA . 1.9 mtp -63.45 -31.34 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 47' ' ' ASN . 26.1 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.5 tt0 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.49 -41.82 70.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -52.53 -56.18 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -52.3 -38.57 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.5 -39.49 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.819 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.58 -59.59 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.54 -35.58 20.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -61.28 -13.04 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.49 -37.9 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.993 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.16 -42.08 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.41 40.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 42.1 m-85 -144.5 -163.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -175.47 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -55.07 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.756 ' HG3' HD22 ' A' ' 33' ' ' LEU . 2.5 ttm180 -58.66 -43.6 89.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.51 -55.24 37.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -58.84 -48.61 80.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.823 ' O ' HD12 ' A' ' 51' ' ' LEU . 86.2 m-20 -53.64 -42.87 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 33' ' ' LEU . 3.8 tp -66.47 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -41.44 -36.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.835 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.16 -49.66 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.49 -56.39 17.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 48' ' ' LEU . 27.9 m -57.34 -33.35 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -64.55 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 50' ' ' ALA . 18.4 p -99.95 -1.19 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t70 82.15 26.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.18 6.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -109.34 76.97 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' GLU . 12.0 tt -40.33 -47.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -51.41 -51.16 57.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -73.32 -20.9 60.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.58 -47.37 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.993 HD11 HD13 ' A' ' 39' ' ' LEU . 41.8 mt -45.62 -62.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.6 pt-20 -48.84 -47.15 42.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 54' ' ' THR . 56.8 mtp -64.65 -30.54 71.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 47' ' ' ASN . 8.4 mt . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.76 -37.66 86.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.64 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.03 -56.8 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -49.9 -40.2 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.65 -39.01 88.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.826 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.43 -59.94 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.2 mt -49.58 -36.32 23.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -60.35 -13.75 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.74 -38.41 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.826 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.52 -42.09 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.0 m-85 -146.74 -158.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.53 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 28.0 t-20 -54.75 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.757 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.6 ttm180 -57.4 -45.02 85.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.56 -57.9 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -57.87 -44.5 86.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.7 m-20 -56.66 -40.34 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -71.25 -62.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -36.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.38 -49.3 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.8 mt -52.59 -55.47 22.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 27.5 m -57.91 -28.25 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.19 -27.75 64.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 50' ' ' ALA . 14.2 p -99.9 4.4 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t70 81.26 14.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.76 32.01 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 84.86 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.816 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.5 tt -43.21 -48.21 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -46.09 -54.42 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -71.92 -23.56 61.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.63 -41.14 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.567 HD11 HD13 ' A' ' 39' ' ' LEU . 36.5 mt -51.14 -68.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.5 pt-20 -41.52 -47.05 3.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 mmm -63.55 -36.77 84.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.2 mt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -61.58 -40.14 93.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' CB ' HD12 ' A' ' 58' ' ' ILE . 11.2 mp0 -49.34 -58.01 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.748 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.5 mt -49.23 -40.14 32.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.75 -39.19 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.844 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.82 -59.69 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.684 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.73 -36.64 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -60.16 -13.55 12.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.95 -38.81 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.844 HD21 ' OE2' ' A' ' 35' ' ' GLU . 25.3 mt -55.43 -42.15 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 26.4 m-85 -146.62 -157.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.37 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.5 t-20 -43.31 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.748 ' HG3' HD22 ' A' ' 33' ' ' LEU . 6.1 ttm180 -65.35 -44.97 86.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -48.81 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.5 -45.89 81.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.779 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.1 m-20 -55.86 -37.37 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 33' ' ' LEU . 4.8 tp -72.61 -61.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -36.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.9 10.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -49.54 -58.46 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 24.1 m -56.81 -22.07 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -76.9 -28.14 55.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 53.7 p -105.89 14.37 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.63 28.54 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 82.49 41.03 9.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t0 -107.9 89.99 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.684 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.5 tt -51.4 -34.55 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -61.61 -53.36 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -76.03 -14.13 60.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -79.16 -39.76 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 39' ' ' LEU . 21.5 mt -50.03 -65.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.84 -46.12 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.401 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 68.2 mtp -63.96 -29.42 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 47' ' ' ASN . 16.0 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 p -165.26 -46.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 0.728 . . . . 0.0 109.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.3 p -122.11 168.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.26 118.85 2.35 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.94 141.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 109.987 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -118.39 150.84 38.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.0 -75.45 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 57.49 93.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 0.786 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? 59.12 169.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.96 116.33 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 t 67.2 126.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 108.336 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.8 t -166.49 89.0 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 14' ' ' SER . 2.1 tt0 -75.3 144.24 42.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' N ' ' HG2' ' A' ' 13' ' ' GLN . 27.3 t -128.86 91.1 3.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.8 142.88 5.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -164.51 -66.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -84.25 -21.63 31.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.429 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.52 152.54 41.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mp -130.42 153.66 81.39 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 89.51 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.496 HG22 ' HB2' ' A' ' 24' ' ' PHE . 2.7 m -102.31 121.43 42.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.354 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 p -70.38 -33.25 71.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.038 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.49 29.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.496 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -112.31 -7.48 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -114.46 -21.05 10.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.391 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -81.51 -1.28 45.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -119.17 -8.7 9.25 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -91.9 -59.46 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 110.336 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.568 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 2.4 m-85 -108.38 41.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.3 tt0 -58.82 -48.53 80.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -63.02 -38.38 90.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.263 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' CB ' HD12 ' A' ' 58' ' ' ILE . 6.8 mp0 -52.33 -59.3 4.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.932 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.9 mt -45.91 -41.09 11.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.541 1.15 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -67.19 -36.09 81.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' GLU . 1.7 mp0 -61.78 -59.51 5.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.805 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.86 -33.95 18.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -60.2 -14.42 17.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.97 -37.01 4.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.962 HD13 HD11 ' A' ' 62' ' ' ILE . 31.1 mt -56.87 -42.17 79.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.78 40.5 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.1 m-85 -145.5 -161.72 1.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.67 -38.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.428 ' CG ' ' CB ' ' A' ' 46' ' ' ALA . 52.2 t-20 -60.14 84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.932 ' CG ' HD22 ' A' ' 33' ' ' LEU . 33.1 ttp180 -50.14 -60.45 2.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.93 -53.67 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.428 ' CB ' ' CG ' ' A' ' 43' ' ' ASN . . . -63.01 -44.56 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.871 ' O ' HD12 ' A' ' 51' ' ' LEU . 77.6 m-20 -56.94 -37.5 71.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -72.49 -62.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.88 -36.2 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.86 -49.04 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.01 -59.97 3.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -51.43 -31.65 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.56 -31.65 72.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 50' ' ' ALA . 7.5 p -101.58 21.16 14.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 69.3 21.65 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.33 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.517 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 86.21 22.33 48.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -89.98 90.25 8.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.644 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -44.17 -44.68 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -47.73 -59.67 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.626 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -66.72 -25.88 66.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.35 -44.53 78.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.962 HD11 HD13 ' A' ' 39' ' ' LEU . 58.1 mt -51.09 -66.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.9 pt-20 -43.41 -46.56 6.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.3 mmm -65.49 -32.81 74.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.574 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 28.9 mt -85.61 -13.15 49.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.9 mt -79.08 -16.44 56.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.19 32.92 2.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.73 63.81 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -61.53 -65.9 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.03 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.95 -85.69 0.39 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.31 41.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.6 t -139.48 154.4 47.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.2 p -173.53 -58.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -103.96 -46.46 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.992 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -62.9 97.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 110.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.69 141.51 6.07 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.89 154.92 31.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 0.741 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -84.18 157.28 21.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.52 78.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.66 150.82 26.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 0.761 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.38 141.74 47.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 116.84 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.7 t -174.77 130.21 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 108.323 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.23 86.52 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.007 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -146.23 167.55 23.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.267 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.0 m -136.61 -54.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.43 163.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -134.43 -54.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 47.9 m 53.56 -102.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 82.48 135.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.0 mp -130.5 154.47 81.63 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 95.95 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.3 m -115.01 124.0 50.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 p -69.05 -29.4 67.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.967 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp -91.48 22.35 4.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.507 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.44 -4.95 15.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.452 ' C ' HD21 ' A' ' 48' ' ' LEU . 2.1 p -112.37 -20.97 11.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 6.7 mt-10 -90.27 12.44 18.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.245 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.53 -33.08 1.36 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.143 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -73.42 -67.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 0.0 110.278 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.6 m-85 -94.32 41.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -58.4 -46.07 87.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -66.27 -37.95 86.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.32 -57.87 7.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.268 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.0 mt -47.98 -41.12 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.19 -39.5 89.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.11 -60.12 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.14 -37.6 22.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -59.23 -14.25 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.25 -39.23 3.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.767 HD21 ' OE2' ' A' ' 35' ' ' GLU . 36.3 mt -54.5 -42.78 71.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.86 40.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.673 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.9 m-85 -147.13 -156.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 0.771 . . . . 0.0 110.996 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.96 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.341 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.843 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.2 t-20 -44.91 96.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.752 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.9 ttm180 -63.26 -45.89 89.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -50.17 74.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.843 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -63.66 -45.44 90.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.856 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.5 m-20 -56.99 -39.48 74.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -70.59 -62.05 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.89 -36.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.12 -51.03 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.856 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -52.43 -59.39 4.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.5 m -52.83 -26.07 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -73.97 -38.03 64.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.745 HG23 ' O ' ' A' ' 50' ' ' ALA . 8.5 p -91.36 9.05 33.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.7 t70 80.19 7.23 1.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.446 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 101.71 38.48 3.19 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -104.6 84.37 2.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.784 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 35' ' ' GLU . 13.7 tt -40.35 -42.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -54.07 -63.05 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 109.595 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -64.23 -22.53 66.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.527 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.51 -41.75 75.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 39' ' ' LEU . 42.4 mt -51.37 -67.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' HA ' HD22 ' A' ' 66' ' ' LEU . 9.0 pt-20 -42.25 -47.43 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.7 mmm -62.73 -35.52 80.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD21 ' HA ' ' A' ' 47' ' ' ASN . 13.5 mt -80.22 -25.9 39.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -60.35 -21.63 62.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.07 18.17 6.93 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.58 -72.25 0.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.343 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.4 117.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -164.4 100.44 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.495 1.122 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 61.28 5.69 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.474 1.776 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 52.2 p -43.71 -58.5 2.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.3 t -90.9 103.78 16.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -67.11 158.91 29.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.76 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 m -127.63 -53.65 1.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.71 -124.8 6.02 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.8 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.014 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.03 135.85 33.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.033 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.4 -88.54 1.25 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 49.45 91.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.24 117.76 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.43 167.58 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.4 p -124.81 152.36 44.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.57 145.9 8.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -144.76 147.74 33.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 t -172.15 155.31 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.76 80.16 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 174.78 -58.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.8 t -111.79 146.85 36.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.421 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.87 149.72 25.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mp -140.91 154.91 69.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.1 m -95.45 128.29 42.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.426 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -29.57 68.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.036 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.6 21.6 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.499 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.35 -7.34 15.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.816 HG21 HG11 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -114.26 -18.04 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.401 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -86.4 0.33 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -112.92 -20.6 6.32 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -70.89 -69.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 0.801 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CZ ' ' HD3' ' A' ' 28' ' ' ARG . 1.2 m-85 -100.98 48.8 0.89 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -57.35 -52.35 65.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -58.78 -39.56 81.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.753 ' HB3' HD12 ' A' ' 58' ' ' ILE . 16.8 mp0 -53.47 -59.97 3.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -48.22 -39.33 20.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.46 -37.26 77.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.733 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.6 -59.67 5.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.21 -37.93 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -59.16 -14.47 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.52 -38.55 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.733 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.78 -42.0 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.07 40.5 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 29.3 m-85 -145.74 -158.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.0 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.801 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 3.5 t-20 -43.22 97.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.766 ' HG3' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -66.74 -41.88 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.21 -49.13 78.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.801 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.09 -43.63 94.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.899 ' O ' HD12 ' A' ' 51' ' ' LEU . 84.6 m-20 -57.88 -41.65 82.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD13 HD21 ' A' ' 33' ' ' LEU . 4.0 tp -67.53 -63.57 1.03 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.95 -38.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.822 ' O ' HG23 ' A' ' 54' ' ' THR . . . -76.36 -52.32 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.899 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -51.01 -61.12 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.816 HG11 HG21 ' A' ' 25' ' ' THR . 35.6 m -51.57 -30.95 11.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.8 -39.85 76.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 50' ' ' ALA . 9.9 p -88.37 8.62 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 74.7 21.41 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.73 30.21 13.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.62 76.71 2.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 32' ' ' GLU . 4.6 tt -41.19 -34.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -59.75 -58.04 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.625 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -69.19 -24.89 64.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.12 -38.85 86.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.586 HD11 HD13 ' A' ' 39' ' ' LEU . 20.0 mt -52.09 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.6 pt-20 -44.33 -46.11 9.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.527 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.08 -29.01 70.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 62' ' ' ILE . 12.0 mt -87.94 -29.62 20.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -55.61 -19.33 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.17 14.58 10.71 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.05 -71.59 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 0.751 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.2 m -104.53 121.4 43.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.65 155.62 8.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 70.96 5.19 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.436 1.756 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 37.1 t -171.67 123.64 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.16 113.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.57 -61.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 0.753 . . . . 0.0 110.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -176.75 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.06 -172.7 26.51 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.465 1.103 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.68 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t 60.91 103.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.039 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.01 134.06 3.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.66 83.32 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.43 99.47 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.08 71.56 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.363 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.6 m 62.22 150.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -170.87 127.47 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -58.33 129.83 43.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 p -162.74 155.38 19.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.62 87.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -169.81 76.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.8 p -123.45 171.26 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.42 49.71 1.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.3 mp -135.51 153.24 77.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 103.76 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 24' ' ' PHE . 1.6 m -83.53 130.72 35.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.4 p -53.74 -25.94 21.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.82 11.03 14.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -122.81 1.83 9.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.8 p -112.85 -22.9 10.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 110.383 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.0 mt-10 -88.2 8.26 27.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -115.3 -33.7 1.58 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.521 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -72.34 -69.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 0.739 . . . . 0.0 110.331 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -94.64 41.46 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 11.1 pt20 -58.87 -47.17 85.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -66.15 -38.05 87.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.626 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.86 -56.09 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.9 mt -51.24 -39.27 56.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -68.17 -38.78 82.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.891 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.7 OUTLIER -59.97 -58.89 6.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.768 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -49.67 -36.87 26.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -60.17 -13.34 11.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.98 -38.52 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.891 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.8 mt -56.14 -42.0 76.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 40.6 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 31.3 m-85 -145.82 -158.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 0.792 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.0 -54.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.863 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -42.93 96.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.747 ' HG3' HD22 ' A' ' 33' ' ' LEU . 4.2 ttm180 -65.77 -44.64 85.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.79 -47.59 85.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.35 -44.4 83.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.801 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -57.93 -36.03 71.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -74.01 -61.67 1.77 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.73 -36.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.688 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.15 -51.26 10.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.801 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -48.71 -60.35 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.35 -23.63 14.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -75.03 -28.44 60.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.57 HG23 ' O ' ' A' ' 50' ' ' ALA . 23.5 p -104.61 7.31 35.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.5 t0 79.34 20.35 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.503 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 90.26 40.26 5.82 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -107.92 89.45 3.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.768 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.6 tt -49.82 -38.23 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -56.37 -57.26 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.631 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -71.91 -21.48 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.612 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.32 -40.16 74.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.588 HG23 ' HZ ' ' A' ' 41' ' ' PHE . 25.3 mt -51.04 -67.71 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -42.91 -47.9 5.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.309 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.7 mmm -62.1 -33.15 73.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 47' ' ' ASN . 14.1 mt -82.9 -27.52 30.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -59.15 -19.57 46.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 115.87 17.73 6.28 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.506 1.129 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.99 54.8 2.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 0.729 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 t -148.39 155.28 41.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.32 -83.89 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 100.45 1.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.555 1.818 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.3 p -170.89 96.6 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 m -158.17 -60.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.71 146.31 44.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 126.84 6.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.41 174.47 41.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.0 t 56.89 100.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 0.796 . . . . 0.0 109.965 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 m -172.97 125.63 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.99 109.06 0.41 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.579 1.175 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -125.86 77.85 1.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.4 0.706 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.48 149.19 23.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.48 143.85 34.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -162.67 -62.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 108.289 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.7 133.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -140.57 105.74 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.39 138.94 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.81 75.16 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.961 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -118.2 169.43 9.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.2 m -40.66 126.24 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.84 161.25 24.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 mp -129.3 151.22 77.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.1 m -92.29 127.12 37.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.392 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.6 m -66.16 -27.15 67.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.053 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -90.77 18.44 6.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -114.55 -2.41 13.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 HG11 ' A' ' 52' ' ' VAL . 1.6 m -122.41 -0.51 9.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -86.27 -15.55 40.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.3 -14.34 57.44 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -76.36 -57.45 3.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 0.803 . . . . 0.0 110.262 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.557 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.8 m-85 -123.65 51.69 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.544 ' HA ' HD12 ' A' ' 33' ' ' LEU . 9.9 tt0 -60.6 -48.84 80.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -59.72 -42.76 93.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.257 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HB3' HD12 ' A' ' 58' ' ' ILE . 3.0 mp0 -52.08 -59.38 4.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.778 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.9 mt -45.65 -41.68 10.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -68.36 -36.69 79.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -59.57 -59.57 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.899 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.1 mt -49.85 -35.85 24.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -59.64 -14.85 15.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -112.84 -39.5 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.697 HD13 HD11 ' A' ' 62' ' ' ILE . 45.7 mt -54.5 -42.23 70.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.84 39.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.9 m-85 -143.96 -160.43 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -173.19 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.729 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 2.5 m120 -39.64 98.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.778 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.4 ttm180 -67.3 -45.02 77.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -45.22 89.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.729 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.85 -47.97 70.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.86 ' O ' HD12 ' A' ' 51' ' ' LEU . 67.3 m-20 -53.34 -39.28 63.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.7 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -69.37 -63.43 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.367 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.73 -38.57 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.71 -50.9 10.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.86 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -50.29 -57.06 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 25' ' ' THR . 33.3 m -57.76 -23.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -77.14 -35.85 55.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.809 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.5 p -90.32 7.25 39.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.389 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 75.17 22.17 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.557 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 88.92 26.87 25.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.452 1.095 . . . . 0.0 111.049 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 58' ' ' ILE . 1.6 m-20 -99.83 78.6 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.899 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.0 tt -40.15 -33.96 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -58.45 -57.84 11.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -72.8 -14.1 61.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.235 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.634 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -78.77 -38.23 39.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.697 HD11 HD13 ' A' ' 39' ' ' LEU . 11.8 mt -52.72 -65.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.461 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -43.32 -48.53 6.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.2 mmm -61.41 -34.03 74.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.4 mt -81.77 -28.13 33.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -56.83 -21.82 31.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.95 23.52 5.24 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.83 35.97 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.1 p -140.66 146.35 37.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 46.77 -144.94 4.26 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.87 30.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.4 t -98.61 131.07 45.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.7 -56.48 10.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.82 168.64 19.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -166.18 158.01 13.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.21 -173.16 12.96 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.8 p -177.66 150.99 0.7 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 0.788 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -152.38 159.13 43.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.05 174.15 31.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.51 145.58 38.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.53 117.02 29.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.99 -59.06 1.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t 61.11 155.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 108.266 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -160.77 86.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.968 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -70.23 70.57 0.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.48 105.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -39.49 125.06 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -38.97 152.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.507 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 13.5 t -108.2 155.23 20.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 71.61 55.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.94 163.68 22.87 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 82.05 2.08 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 24' ' ' PHE . 1.3 m -68.32 125.98 28.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -31.73 70.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.037 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 mp -92.42 27.6 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.506 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -111.55 -3.3 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.1 p -115.88 -28.18 6.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 12.4 mt-10 -88.78 13.34 12.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -117.43 -34.11 1.24 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.471 1.107 . . . . 0.0 110.979 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.543 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 29.8 mtt180 -80.49 -59.15 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 0.778 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -101.4 39.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 8.8 pt20 -60.64 -45.68 93.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -69.55 -34.98 74.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.23 -55.82 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.263 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.967 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -50.82 -38.59 49.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -69.67 -34.54 74.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 2.4 mp0 -63.73 -59.18 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.808 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.5 mt -49.99 -33.88 19.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -60.38 -13.91 15.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.63 -36.87 4.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.946 HD13 HD11 ' A' ' 62' ' ' ILE . 32.5 mt -57.32 -41.86 80.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.12 41.08 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 38.2 m-85 -145.74 -161.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.755 . . . . 0.0 111.028 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.63 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.82 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 6.4 t-20 -55.89 88.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.967 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.3 ttp180 -53.1 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -40.39 -49.71 2.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.82 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.96 -43.65 91.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.91 ' O ' HD12 ' A' ' 51' ' ' LEU . 83.5 m-20 -58.42 -40.0 81.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -69.66 -63.17 1.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -38.08 -35.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.857 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.77 -48.58 12.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.91 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -54.72 -56.99 13.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.8 m -54.33 -29.72 20.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.34 -34.54 72.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 50' ' ' ALA . 11.1 p -92.44 5.74 49.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.388 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.452 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.4 t0 77.98 25.68 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.52 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 83.69 32.65 23.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.16 83.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.333 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.808 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.3 tt -40.57 -38.07 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -53.49 -58.51 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.751 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -71.11 -13.0 61.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.631 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -80.03 -43.24 22.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.946 HD11 HD13 ' A' ' 39' ' ' LEU . 33.7 mt -50.56 -61.83 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.24 -48.55 24.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.4 mmm -63.82 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.567 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.8 mt -87.67 -12.49 45.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 62' ' ' ILE . 39.3 mt -81.08 -16.19 53.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.44 33.89 2.6 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.48 63.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 t -133.82 161.44 34.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 110.032 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.9 158.72 36.94 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 156.12 42.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.16 131.25 10.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -49.19 133.01 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -172.54 124.94 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.965 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.84 -58.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.78 -166.85 24.4 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -173.11 93.79 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 p -171.76 -58.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.76 89.53 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -157.36 68.26 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? 61.58 158.72 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.81 103.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -177.69 126.46 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 108.267 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -162.33 111.25 1.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.92 163.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -107.15 86.82 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.4 t 174.82 128.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -80.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.313 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m 56.54 46.98 19.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.399 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -168.56 -170.73 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -140.01 155.95 70.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 55.57 3.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.57 1.826 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 24' ' ' PHE . 1.1 m 38.24 73.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.25 -11.26 60.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -98.81 13.54 32.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.246 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -110.4 -5.71 15.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.978 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.542 ' C ' HD21 ' A' ' 48' ' ' LEU . 1.4 p -99.18 -19.95 16.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -87.92 3.94 46.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' O ' ' OE1' ' A' ' 30' ' ' GLN . . . -113.08 -32.43 2.21 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.525 1.14 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' NE ' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -66.57 -71.83 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.346 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.526 ' CE1' ' NE ' ' A' ' 28' ' ' ARG . 2.5 m-85 -93.72 36.87 1.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.487 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.1 pt20 -52.8 -45.85 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -63.26 -43.6 97.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 58' ' ' ILE . 14.6 mp0 -49.15 -56.21 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.907 HD22 ' CG ' ' A' ' 44' ' ' ARG . 3.0 mt -49.93 -40.19 42.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.92 -38.44 82.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.691 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.07 -59.34 5.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.713 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.1 -37.72 22.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -59.11 -14.1 9.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.49 -38.46 4.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.338 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.761 HD13 HD11 ' A' ' 62' ' ' ILE . 27.8 mt -55.8 -42.28 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.32 40.63 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.549 1.156 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.64 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 24.3 m-85 -146.95 -157.08 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 0.783 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 177.38 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.73 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -53.99 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.907 ' CG ' HD22 ' A' ' 33' ' ' LEU . 43.1 ttp180 -57.85 -62.3 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.44 -45.53 3.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -69.75 -45.54 67.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.855 ' O ' HD12 ' A' ' 51' ' ' LEU . 79.9 m-20 -57.2 -36.54 70.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -72.91 -63.16 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.44 -34.94 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -82.09 -48.25 11.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.855 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.7 mt -52.73 -55.26 24.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -58.78 -26.67 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.612 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.12 -26.14 64.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 50' ' ' ALA . 47.5 p -106.08 12.65 30.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.423 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t0 75.06 18.24 2.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.427 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 92.36 36.44 6.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 7.8 t0 -104.18 81.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 0.738 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.596 HD11 ' HG ' ' A' ' 36' ' ' LEU . 12.0 tt -39.91 -45.03 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.57 -57.81 8.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.593 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -69.32 -22.02 63.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.761 HD11 HD13 ' A' ' 39' ' ' LEU . 28.7 mt -51.96 -67.0 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.421 ' HA ' HD22 ' A' ' 66' ' ' LEU . 11.9 pt-20 -41.8 -48.17 4.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 mmm -62.25 -36.58 82.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' OD1' ' A' ' 47' ' ' ASN . 10.0 mt -78.94 -25.2 43.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -61.95 -16.99 55.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.09 11.08 8.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.49 63.68 7.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 93.2 p -148.13 146.79 28.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.98 157.9 27.44 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 102.69 1.62 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.6 119.51 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t 62.24 125.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -95.03 84.03 4.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 110.008 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.13 152.15 41.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.05 151.13 51.63 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m 65.54 119.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 110.012 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m -153.55 101.46 2.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.43 135.66 9.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.45 145.73 51.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -80.05 149.03 30.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 58.42 107.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 55.3 m -124.63 108.68 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 108.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.39 144.23 57.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -173.51 170.59 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.334 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.91 134.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.15 -58.65 4.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.36 118.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 t -101.78 -23.49 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 48.46 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -145.74 145.93 27.25 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.534 1.808 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.432 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 2.8 m -76.76 119.31 20.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.406 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.7 m -64.43 -26.68 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -89.02 20.46 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -117.44 -0.31 11.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.614 HG21 HG11 ' A' ' 52' ' ' VAL . 1.9 m -123.42 -0.64 8.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -85.43 -15.91 41.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.38 59.33 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' HD3' ' CE2' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -75.23 -62.3 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 110.263 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.547 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.7 m-85 -119.58 52.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.48 ' HA ' HD12 ' A' ' 33' ' ' LEU . 8.6 tt0 -60.31 -42.19 95.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.06 -46.38 84.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.658 ' CB ' HD12 ' A' ' 58' ' ' ILE . 3.2 mp0 -50.99 -58.15 6.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.738 HD22 ' HG3' ' A' ' 44' ' ' ARG . 4.9 mt -46.67 -41.25 14.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -68.05 -37.55 81.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.5 mp0 -61.04 -58.85 6.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.8 -36.77 27.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 ttmt -59.71 -14.47 14.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -112.83 -39.36 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.766 HD13 HD11 ' A' ' 62' ' ' ILE . 45.2 mt -54.2 -42.83 70.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.63 39.63 0.02 OUTLIER Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.653 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 35.5 m-85 -144.42 -160.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.22 -42.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.718 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -53.47 90.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.738 ' HG3' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.89 -42.66 94.28 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -57.95 -53.98 52.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.718 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -61.26 -46.14 91.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.42 1.075 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.787 ' O ' HD12 ' A' ' 51' ' ' LEU . 72.5 m-20 -55.31 -34.68 64.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD13 HD21 ' A' ' 33' ' ' LEU . 4.1 tp -75.92 -61.97 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.36 -33.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.72 ' O ' HG23 ' A' ' 54' ' ' THR . . . -82.21 -47.47 12.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -54.12 -53.33 54.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.614 HG11 HG21 ' A' ' 25' ' ' THR . 21.4 m -61.84 -20.85 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -78.59 -28.34 45.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.72 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.3 p -102.64 12.81 35.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.401 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.24 16.72 8.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.547 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 94.31 54.65 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.581 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t70 -122.75 77.78 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.764 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.759 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.2 tt -39.16 -41.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -55.22 -56.89 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 109.589 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.581 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -70.79 -22.53 62.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.86 -42.62 73.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.766 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -48.22 -67.19 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' HA ' HD22 ' A' ' 66' ' ' LEU . 9.3 pt-20 -44.28 -47.15 9.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.429 ' SD ' HG22 ' A' ' 54' ' ' THR . 51.5 mtp -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.578 HD13 ' OD1' ' A' ' 47' ' ' ASN . 8.3 mt -86.04 -28.87 23.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.5 OUTLIER -56.58 -20.61 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.12 8.84 16.74 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -68.17 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.6 t -57.61 -57.83 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 130.08 154.13 7.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.47 12.73 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 29.5 p -132.46 158.66 41.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 113.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -95.99 91.03 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.799 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.88 137.36 18.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.96 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.82 123.06 8.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -163.36 166.79 22.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -63.29 136.73 57.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.025 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.75 130.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -169.91 100.96 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.27 154.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.11 -61.2 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.8 p -155.5 164.58 38.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 108.322 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 t -171.16 -57.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.63 151.34 8.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.79 -59.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m 60.78 106.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -165.91 132.37 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.3 p -145.23 162.87 36.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 110.405 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 19' ' ' LEU . . . -173.54 114.17 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 3.4 mp 70.34 120.89 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 101.45 1.47 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.562 1.822 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.1 m -97.84 128.11 44.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.25 -30.02 68.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.81 22.9 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -111.1 -4.01 15.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.4 p -111.57 -24.05 10.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.7 mt-10 -89.8 13.51 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.46 -36.54 0.79 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 12.3 mtt180 -71.99 -71.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 0.789 . . . . 0.0 110.343 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.79 39.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.969 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -59.3 -47.09 86.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -68.13 -36.4 79.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.604 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -49.27 -56.38 9.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.78 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.4 mt -49.0 -40.72 31.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.77 -37.65 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' ALA . 1.6 mp0 -60.19 -59.67 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.683 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -49.83 -36.32 26.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 14.4 tttt -59.46 -14.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -113.12 -39.19 4.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.667 HD13 HD11 ' A' ' 62' ' ' ILE . 40.6 mt -54.78 -42.56 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.33 40.01 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 29.6 m-85 -145.69 -158.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.758 . . . . 0.0 111.023 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.89 -56.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.948 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.1 OUTLIER -40.24 98.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.78 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 ttm180 -64.95 -49.7 69.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.08 -46.15 79.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.948 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -66.43 -44.76 81.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.775 ' O ' HD12 ' A' ' 51' ' ' LEU . 91.3 m-20 -57.43 -39.83 77.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.693 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -69.97 -63.2 1.13 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.04 -36.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.26 -45.7 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.6 mt -55.72 -56.41 20.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -57.31 -29.86 33.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.33 -25.93 67.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 50' ' ' ALA . 50.1 p -106.38 7.89 31.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.372 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 80.23 10.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 98.38 44.79 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.477 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.2 t0 -111.39 81.48 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.683 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.4 tt -40.1 -37.26 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.8 m-70 -58.64 -60.64 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.592 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.477 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -67.85 -22.52 65.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.38 -39.57 77.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.667 HD11 HD13 ' A' ' 39' ' ' LEU . 23.1 mt -52.21 -67.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.6 pt-20 -41.8 -47.11 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.417 ' SD ' ' CB ' ' A' ' 69' ' ' SER . 11.5 mmm -63.05 -36.58 84.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' ILE . 22.3 mt -80.07 -22.21 42.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -64.46 -19.65 65.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 111.37 17.87 8.47 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.81 -72.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.417 ' CB ' ' SD ' ' A' ' 64' ' ' MET . 0.5 OUTLIER -113.98 174.6 5.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.013 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.26 157.25 30.88 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.556 1.16 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 161.81 37.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.975 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.84 165.33 27.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -83.8 125.05 31.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.27 -58.52 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m 47.59 95.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.994 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 132.89 3.34 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 p -168.27 88.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -151.8 -58.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.156 . . . . 0.0 110.03 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.5 72.25 0.45 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.509 1.131 . . . . 0.0 111.059 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.95 123.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.64 -55.58 2.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -169.5 161.48 9.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.7 p -173.25 136.74 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.262 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.11 129.11 9.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.036 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -179.75 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.49 ' OG ' HD13 ' A' ' 19' ' ' LEU . 84.8 p -174.41 164.02 3.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.72 80.77 1.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 50.45 84.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 ' C ' HD12 ' A' ' 19' ' ' LEU . 17.5 m -150.04 45.4 0.91 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 64.77 70.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD13 ' OG ' ' A' ' 14' ' ' SER . 1.9 mp -138.05 153.36 73.34 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 101.92 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.517 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.2 m -89.99 128.52 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.33 -30.68 68.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.39 24.14 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' N ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -109.41 -5.84 15.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.607 ' C ' HD21 ' A' ' 48' ' ' LEU . 2.9 p -113.04 -22.26 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.425 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.7 mt-10 -87.15 8.17 24.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.16 -8.3 8.73 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.484 ' HB2' ' CE2' ' A' ' 29' ' ' TYR . 96.5 mtt180 -92.34 -29.69 16.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 1.1 m-85 -147.35 50.69 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' HA ' HD12 ' A' ' 33' ' ' LEU . 7.0 pt20 -61.76 -45.79 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -63.88 -42.23 97.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.636 ' CB ' HD12 ' A' ' 58' ' ' ILE . 34.5 mp0 -49.5 -53.13 24.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.927 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.6 mt -54.2 -37.86 65.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -68.95 -38.28 79.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.879 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -60.44 -59.42 5.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD13 ' CG ' ' A' ' 47' ' ' ASN . 1.1 mt -49.61 -36.36 24.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.44 -13.38 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.97 -37.85 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.879 HD21 ' OE2' ' A' ' 35' ' ' GLU . 24.7 mt -56.73 -41.78 78.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 151.67 40.75 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 36.2 m-85 -144.99 -161.53 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.14 -41.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 8.9 t-20 -55.8 89.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.927 ' CG ' HD22 ' A' ' 33' ' ' LEU . 42.8 ttp85 -56.47 -62.32 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' OD1' ' NH2' ' A' ' 44' ' ' ARG . 1.2 m-20 -41.48 -47.3 3.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.743 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.17 -47.75 75.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.835 ' CG ' HD13 ' A' ' 36' ' ' LEU . 77.2 m-20 -55.84 -43.15 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD13 HD21 ' A' ' 33' ' ' LEU . 3.7 tp -65.96 -64.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.02 -38.05 0.93 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 54' ' ' THR . . . -77.12 -52.18 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -49.64 -61.26 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 48' ' ' LEU . 35.9 m -52.87 -35.47 21.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -61.78 -34.08 75.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.721 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.5 p -97.69 15.38 23.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 t0 74.98 4.32 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 104.38 39.74 2.36 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 60' ' ' ALA . 0.4 OUTLIER -106.43 80.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 0.768 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.791 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.9 tt -41.97 -38.03 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -57.6 -48.57 79.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.57 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 57' ' ' ASP . . . -75.48 -24.16 56.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.56 -42.69 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.634 HD11 HD13 ' A' ' 39' ' ' LEU . 33.3 mt -49.05 -65.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 66' ' ' LEU . 10.4 pt-20 -47.99 -47.2 33.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.466 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.3 mtp -63.14 -25.18 68.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' OD1' ' A' ' 47' ' ' ASN . 13.1 mt -90.94 -30.22 17.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 63' ' ' GLU . 78.2 mt -59.27 -23.21 62.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.6 27.49 4.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.93 -74.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 t -110.49 167.64 10.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.59 122.13 1.65 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 100.91 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.563 1.823 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.35 85.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.7 152.2 43.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.984 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -122.02 134.05 54.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 0.739 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -96.74 -57.67 2.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 110.025 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.62 59.48 0.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t 66.81 144.08 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.26 121.97 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.44 162.01 11.52 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.47 161.74 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 0.0 109.266 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.19 110.94 17.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.31 122.71 24.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 167.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.289 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -124.13 136.17 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -116.2 133.37 56.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.9 p 179.43 134.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.991 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 42.3 t 62.88 126.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 173.58 -35.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -104.42 -15.3 15.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.29 173.24 11.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mp -130.76 154.59 81.88 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 102.28 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.497 ' HB ' ' CG ' ' A' ' 24' ' ' PHE . 1.8 m -88.84 129.22 35.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.4 p -68.1 -41.51 81.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.92 39.35 0.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -121.92 3.06 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 t -139.35 -42.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.429 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' HD21 ' A' ' 48' ' ' LEU . 10.5 mt-10 -76.45 0.71 18.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.45 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -108.51 -29.56 4.14 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -56.75 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 0.756 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HE2' HG12 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -99.97 35.31 2.07 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 10.0 pt20 -57.52 -42.58 83.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -72.2 -36.06 69.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.14 -53.17 29.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.779 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -55.98 -36.03 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.77 -40.01 76.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -60.64 -59.36 5.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.688 HD11 HD11 ' A' ' 51' ' ' LEU . 1.5 mt -50.04 -35.12 23.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -61.25 -12.75 14.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.08 -37.87 3.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.865 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.27 -42.11 76.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.43 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' CB ' ' A' ' 65' ' ' LEU . 38.3 m-85 -145.8 -161.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.26 -53.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.794 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -45.49 95.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.779 ' CG ' HD22 ' A' ' 33' ' ' LEU . 2.3 ttm180 -58.81 -44.87 90.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -56.48 21.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.794 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -55.8 -46.25 78.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.807 ' O ' HD12 ' A' ' 51' ' ' LEU . 96.5 m-20 -57.19 -42.55 81.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 33' ' ' LEU . 4.5 tp -68.39 -62.13 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -39.79 -33.08 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.21 -51.04 8.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.0 OUTLIER -51.93 -58.78 5.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.7 m -54.48 -30.43 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -66.72 -28.45 68.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 50' ' ' ALA . 19.4 p -104.22 6.83 35.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.421 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.68 33.37 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.41 42.07 23.77 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -111.26 86.99 2.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.351 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.657 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.38 -49.9 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 59.9 m170 -44.75 -59.74 2.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.568 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.89 -22.56 64.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.264 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -69.14 -42.47 75.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.865 HD11 HD13 ' A' ' 39' ' ' LEU . 36.2 mt -51.37 -65.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.7 pt-20 -42.84 -46.07 5.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 6.6 mmm -65.66 -33.53 76.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.562 ' CB ' ' CE2' ' A' ' 41' ' ' PHE . 26.2 mt -85.51 -12.48 51.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt -80.42 -13.62 58.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.76 42.19 2.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.478 1.112 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.82 -53.17 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.85 145.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.11 -149.39 5.04 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.61 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 t -106.35 -51.39 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 109.961 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 53.5 p 58.5 105.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.036 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.08 168.04 27.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.958 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.67 159.71 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.68 -162.63 27.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -175.22 133.59 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -103.81 -58.62 1.85 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.13 163.95 11.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -165.29 134.89 3.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -42.41 136.74 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.75 -61.59 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.5 m -55.51 142.19 34.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 108.238 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 m -173.98 -59.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 39.31 74.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.79 80.72 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.0 p -167.62 -68.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.968 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 73.52 83.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.2 p -140.66 92.33 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.405 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 60.26 170.82 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -134.93 162.48 57.44 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' THR . 18.4 Cg_endo -75.0 54.02 3.52 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.451 HG22 ' HB2' ' A' ' 24' ' ' PHE . 2.1 m 36.13 76.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.439 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 98.0 p -66.52 -22.16 66.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.69 2.66 25.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' HB2' HG22 ' A' ' 21' ' ' THR . 0.2 OUTLIER -114.52 -7.26 12.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -94.13 -20.33 19.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.361 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 4.7 mt-10 -87.6 4.12 45.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -114.29 -30.84 2.35 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 8.2 mtt-85 -72.98 -71.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.757 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.44 ' CD1' ' HB3' ' A' ' 28' ' ' ARG . 0.7 OUTLIER -88.98 40.78 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.13 -44.55 92.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -68.51 -36.34 78.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.159 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -51.74 -55.33 20.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.764 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.9 mt -52.15 -38.76 58.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.85 -38.36 86.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -61.65 -59.59 4.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.77 -35.32 22.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 21.3 ttpt -60.92 -12.76 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -116.15 -37.8 3.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.959 HD13 HD11 ' A' ' 62' ' ' ILE . 25.6 mt -56.07 -42.43 76.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.4 40.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.474 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -147.65 -158.71 0.94 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 111.043 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' PHE . . . 176.99 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 55.0 t-20 -59.39 84.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.764 ' CG ' HD22 ' A' ' 33' ' ' LEU . 1.2 ttm105 -47.21 -47.11 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.29 -64.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -50.39 -46.88 56.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.783 ' O ' HD12 ' A' ' 51' ' ' LEU . 90.7 m-20 -54.69 -44.82 73.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.717 HD13 HD21 ' A' ' 33' ' ' LEU . 4.4 tp -67.81 -62.79 1.25 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.33 -37.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.98 -42.97 25.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.5 mt -59.16 -57.65 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 48' ' ' LEU . 28.3 m -54.2 -36.08 31.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -60.84 -25.58 66.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.568 HG23 ' O ' ' A' ' 50' ' ' ALA . 65.1 p -106.98 9.08 30.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.406 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.4 OUTLIER 78.08 22.01 0.84 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.68 38.38 7.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.588 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 5.5 t0 -104.79 89.53 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.77 . . . . 0.0 109.242 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 11.1 tt -45.66 -44.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -54.3 -62.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.588 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -65.03 -14.15 59.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -81.98 -43.81 17.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.959 HD11 HD13 ' A' ' 39' ' ' LEU . 28.6 mt -48.06 -59.77 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.02 -45.77 52.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 51.1 mtp -66.09 -24.86 66.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -94.2 -15.82 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ILE . 48.4 mt -76.25 -13.21 60.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.92 40.72 3.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -100.25 -63.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.4 m -125.65 167.12 15.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 86.63 154.55 25.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.963 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 81.73 2.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.484 1.781 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 72.2 p -172.1 137.12 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.56 -54.84 3.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m 61.63 145.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 0.79 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -98.9 143.61 29.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.168 . . . . 0.0 109.981 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.21 146.77 18.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.484 1.115 . . . . 0.0 111.057 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -109.54 110.41 21.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 0.774 . . . . 0.0 109.985 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -142.42 161.36 38.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.72 -91.11 0.12 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.86 96.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.54 0.788 . . . . 0.0 109.349 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.576 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -79.16 128.25 33.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 9' ' ' ARG . . . 75.48 -61.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 t 65.99 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 108.342 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -41.11 117.21 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -93.43 142.84 26.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.8 p -136.4 162.25 33.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.9 t 61.2 101.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -92.87 120.41 33.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.412 1.07 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 65.5 m -135.76 146.06 47.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 66.75 174.57 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 mp -129.82 153.5 80.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 102.66 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.452 ' HB ' ' CG ' ' A' ' 24' ' ' PHE . 1.8 m -82.24 128.89 34.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.416 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 p -66.2 -42.19 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.7 41.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.452 ' CG ' ' HB ' ' A' ' 21' ' ' THR . 0.1 OUTLIER -127.76 3.57 6.06 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.3 t -140.99 -42.49 0.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.542 1.151 . . . . 0.0 110.396 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -76.39 0.34 19.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.87 -25.61 5.32 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -83.02 -57.49 3.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.484 ' CE1' ' HA3' ' A' ' 56' ' ' GLY . 0.2 OUTLIER -98.99 37.74 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -59.3 -45.62 90.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -70.45 -35.21 73.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -49.85 -53.55 24.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.784 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.3 mt -54.57 -38.07 66.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 3.3 mt-10 -67.41 -39.69 85.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.763 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.85 -59.61 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 47' ' ' ASN . 1.3 mt -49.55 -34.88 18.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 13.0 tttt -60.62 -13.53 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.55 -37.63 3.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.987 HD13 HD11 ' A' ' 62' ' ' ILE . 24.1 mt -56.03 -42.45 76.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.43 40.36 0.02 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 34.6 m-85 -146.74 -159.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -177.87 -52.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.793 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -47.39 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.784 ' CG ' HD22 ' A' ' 33' ' ' LEU . 10.2 ttm180 -56.87 -46.91 81.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.46 -57.15 13.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.793 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -56.17 -47.06 79.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.728 ' O ' HD12 ' A' ' 51' ' ' LEU . 95.0 m-20 -56.21 -40.72 74.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 33' ' ' LEU . 4.9 tp -70.09 -59.54 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.79 -33.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 54' ' ' THR . . . -81.15 -49.57 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.1 mt -53.45 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.9 m -53.03 -27.59 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -72.43 -34.55 67.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 50' ' ' ALA . 10.0 p -95.7 5.8 50.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.451 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.457 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.0 t0 78.49 25.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.484 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 82.98 50.28 4.68 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 3.4 t70 -119.4 85.01 2.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HA ' ' HB3' ' A' ' 61' ' ' ALA . 10.0 tt -40.92 -46.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -49.97 -62.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.608 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -66.17 -20.06 66.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.64 -45.54 58.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.987 HD11 HD13 ' A' ' 39' ' ' LEU . 48.2 mt -49.38 -63.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 14.9 pt-20 -44.35 -47.48 9.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.5 mmm -64.77 -35.15 80.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 20.2 mt -83.46 -10.77 58.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 62' ' ' ILE . 43.9 mt -82.71 -14.88 53.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.35 40.07 1.7 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.55 65.42 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -66.08 0.92 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -174.47 166.97 39.11 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 76.22 3.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.777 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.58 -57.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.8 t -78.58 127.77 32.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 -179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.79 87.1 1.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 110.03 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -112.16 124.77 53.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -166.14 11.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.553 1.158 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.83 118.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 0.759 . . . . 0.0 110.026 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 p -94.91 170.07 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.07 178.78 16.69 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -115.49 169.51 9.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.51 97.21 5.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -164.82 168.18 18.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.09 72.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t 75.53 -59.43 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 179.27 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.99 83.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.9 p -174.34 139.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 77.3 -61.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 17' ' ' THR . 53.3 m -89.51 41.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.99 111.05 22.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.92 155.11 81.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.509 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -92.39 130.11 38.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.448 ' O ' HG22 ' A' ' 25' ' ' THR . 0.1 OUTLIER -39.33 -43.79 1.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.998 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.8 -43.65 65.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.509 ' CD1' ' HB ' ' A' ' 21' ' ' THR . 4.8 m-85 -58.23 -16.77 15.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 22' ' ' SER . 9.0 t -112.9 -27.21 8.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 31.7 mt-10 -81.57 1.11 35.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' O ' ' NE2' ' A' ' 30' ' ' GLN . . . -114.59 -23.94 4.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.113 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' NE ' ' O ' ' A' ' 24' ' ' PHE . 7.5 mtt-85 -78.96 -60.95 2.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.523 ' CZ ' ' HA3' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -97.43 38.04 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 27' ' ' GLY . 9.1 pt20 -59.61 -44.2 93.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -70.95 -35.12 72.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.651 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.22 -56.01 12.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.821 HD22 ' HG3' ' A' ' 44' ' ' ARG . 1.3 mt -49.95 -39.35 40.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.18 -35.42 76.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -62.06 -59.38 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.783 HD13 ' CG ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -50.03 -33.99 19.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -60.05 -14.49 16.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.91 -37.7 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.035 HD13 HD11 ' A' ' 62' ' ' ILE . 36.3 mt -55.96 -42.2 75.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.84 40.34 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -145.71 -161.08 1.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.23 -42.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.885 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 7.6 t-20 -54.43 89.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.821 ' HG3' HD22 ' A' ' 33' ' ' LEU . 19.0 ttp-105 -52.99 -65.61 0.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.16 -49.4 2.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.142 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.885 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.05 -49.05 77.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.261 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.783 ' CG ' HD13 ' A' ' 36' ' ' LEU . 66.4 m-20 -53.34 -42.05 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -67.88 -63.45 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -34.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 54' ' ' THR . . . -79.92 -47.53 14.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -56.04 -55.63 30.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.8 m -57.31 -26.85 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -71.69 -29.0 64.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.772 HG23 ' O ' ' A' ' 50' ' ' ALA . 17.0 p -102.13 1.27 36.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.423 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t0 79.94 36.03 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.523 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 74.65 51.48 8.1 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.19 82.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.658 HD11 ' HG ' ' A' ' 36' ' ' LEU . 4.3 tt -41.89 -49.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 62.5 m-70 -46.47 -57.33 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -68.78 -22.67 64.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -70.48 -47.87 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.035 HD11 HD13 ' A' ' 39' ' ' LEU . 34.9 mt -48.07 -63.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 12.1 pt-20 -45.41 -47.85 13.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.2 mmm -64.25 -34.44 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 14.0 mt -81.78 -18.34 44.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ILE . 51.5 mt -73.62 -14.12 61.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.4 41.46 1.89 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.87 51.21 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.39 166.11 12.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -114.8 -81.34 0.97 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.92 42.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 57.8 m -123.79 114.79 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.59 103.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.513 1.133 . . . . 0.0 110.988 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -150.33 -58.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 0.785 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.97 -59.13 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.12 -174.45 4.62 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -98.97 108.18 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.1 p -172.77 150.4 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.37 -157.17 6.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -160.98 158.75 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.749 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.11 163.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -138.58 166.54 24.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 m -57.61 158.74 5.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 108.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 m -145.05 118.36 8.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.979 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -148.05 -64.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.95 148.93 29.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.4 p -108.44 74.48 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.025 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 50.36 96.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 p 39.68 90.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.45 79.61 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.58 161.43 63.74 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 107.02 2.39 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' PHE . 0.6 OUTLIER -100.43 132.8 45.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.378 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.706 ' O ' HG22 ' A' ' 25' ' ' THR . 26.6 m -40.57 -64.18 0.55 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.15 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -46.16 -32.98 3.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.6 m-85 -88.3 39.61 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 22' ' ' SER . 9.8 t -175.53 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' CG ' ' CD2' ' A' ' 48' ' ' LEU . 75.4 mt-10 -77.07 -0.59 25.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -113.67 -26.38 3.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.21 -67.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.525 ' CZ ' ' HA3' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -88.33 39.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -58.99 -45.78 89.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -67.61 -38.16 83.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HA ' HD12 ' A' ' 58' ' ' ILE . 12.0 mp0 -49.78 -56.26 10.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.776 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -50.31 -39.52 45.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 6.2 mt-10 -68.04 -37.36 81.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -61.43 -59.27 5.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.3 mt -49.58 -35.54 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 15.8 ttmt -60.48 -13.3 12.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.56 -37.57 3.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.875 HD13 HD11 ' A' ' 62' ' ' ILE . 24.8 mt -56.82 -41.88 78.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.71 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CE1' ' CB ' ' A' ' 65' ' ' LEU . 33.2 m-85 -146.76 -159.22 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.753 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.71 -57.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.74 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -42.83 96.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.776 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.0 ttm180 -59.64 -47.07 87.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -53.95 51.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.74 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -59.36 -43.52 92.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.729 ' O ' HD12 ' A' ' 51' ' ' LEU . 75.4 m-20 -58.64 -41.07 85.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.678 HD13 HD21 ' A' ' 33' ' ' LEU . 4.7 tp -70.05 -62.56 1.34 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -38.72 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.647 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -83.94 -49.89 8.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.09 -57.33 9.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 48' ' ' LEU . 32.6 m -55.93 -26.76 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.23 -27.63 64.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.517 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 39.9 p -104.86 6.04 33.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.8 OUTLIER 79.56 36.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.525 ' HA3' ' CZ ' ' A' ' 29' ' ' TYR . . . 75.84 27.61 62.4 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.16 90.16 4.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 36' ' ' LEU . 7.5 tt -48.66 -47.61 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 38.3 m-70 -44.38 -58.69 2.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.557 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.517 ' HB3' ' HB ' ' A' ' 54' ' ' THR . . . -68.86 -23.3 64.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -68.67 -43.69 75.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.875 HD11 HD13 ' A' ' 39' ' ' LEU . 62.2 mt -52.0 -65.25 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.0 pt-20 -43.2 -46.6 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mmm -65.29 -32.08 73.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.573 ' CB ' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -88.06 -10.24 50.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.9 mt -83.42 -9.14 59.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.56 41.37 2.36 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.509 1.13 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.53 59.18 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.34 133.04 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.969 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.84 102.6 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.451 1.094 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 172.49 16.26 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.803 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.78 150.36 39.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.8 p 173.36 130.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.11 . . . . 0.0 110.952 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 m 61.28 143.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -89.24 144.62 25.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.021 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.09 -135.84 2.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.443 1.089 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t 62.34 166.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.14 147.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 61.11 1.76 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.469 1.106 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.8 63.54 0.62 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.25 147.94 51.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.29 123.51 39.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.75 -62.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t 62.41 132.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.28 166.95 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t 60.41 170.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.41 -57.04 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -44.91 140.87 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.7 t -103.18 165.52 10.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' C ' HD12 ' A' ' 19' ' ' LEU . . . -111.28 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD12 ' C ' ' A' ' 18' ' ' ALA . 6.1 mp -131.31 153.13 81.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 0.0 111.03 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -79.47 127.86 32.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.398 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 p -57.83 -30.0 65.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -84.42 7.31 20.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -115.18 0.97 13.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 110.987 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.0 t -143.12 -43.08 0.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.407 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 42.8 mt-10 -77.0 1.26 18.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -111.19 -24.03 5.57 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -87.46 -61.5 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 0.765 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 0.2 OUTLIER -94.59 34.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.96 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -58.66 -43.32 89.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -74.49 -33.08 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.4 OUTLIER -50.35 -54.16 23.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.801 HD22 ' CG ' ' A' ' 44' ' ' ARG . 1.2 mt -52.05 -39.83 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.18 -41.24 86.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.48 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -57.77 -60.02 4.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.668 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.53 -38.13 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 41' ' ' PHE . 16.3 tttt -59.37 -13.93 10.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.17 -39.1 3.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.681 HD13 HD11 ' A' ' 62' ' ' ILE . 27.4 mt -54.88 -42.51 72.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.76 39.96 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.672 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 23.2 m-85 -147.61 -154.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 111.063 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 178.52 -55.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.891 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 4.7 t-20 -40.27 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.801 ' CG ' HD22 ' A' ' 33' ' ' LEU . 6.4 ttm180 -62.91 -46.47 87.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.75 -51.0 71.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.891 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -62.18 -42.61 99.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.77 ' O ' HD12 ' A' ' 51' ' ' LEU . 89.9 m-20 -60.11 -42.9 95.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.725 HD13 HD21 ' A' ' 33' ' ' LEU . 4.6 tp -68.26 -62.51 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -34.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.665 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -79.82 -51.56 9.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.562 1.164 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.3 mt -52.01 -60.38 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.345 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 48' ' ' LEU . 33.8 m -51.87 -27.87 9.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.6 -42.43 71.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 50' ' ' ALA . 16.0 p -88.89 7.3 35.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 110.392 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 54' ' ' THR . 0.7 OUTLIER 75.34 33.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.66 36.11 20.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.6 t0 -103.38 90.11 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.661 HD11 ' HG ' ' A' ' 36' ' ' LEU . 8.0 tt -54.38 -41.23 52.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -55.44 -57.1 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.62 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.553 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -68.45 -26.02 65.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -66.15 -42.57 88.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.681 HD11 HD13 ' A' ' 39' ' ' LEU . 21.8 mt -50.34 -68.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 9.1 pt-20 -43.83 -45.7 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.453 ' HE3' ' HB3' ' A' ' 53' ' ' ALA . 1.4 mtp -63.28 -33.15 74.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' A' ' 47' ' ' ASN . 24.6 mt -84.58 -24.71 29.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.7 OUTLIER -62.22 -24.53 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.98 27.06 3.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.86 -78.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 0.74 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.39 179.75 4.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 139.52 -132.65 5.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 92.21 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -93.36 159.6 15.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.974 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -101.32 145.91 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.19 89.69 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.004 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -156.19 -58.48 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.32 156.31 2.95 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -82.42 137.59 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 109.956 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t 66.38 111.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.2 -140.84 6.64 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 63.46 101.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.09 143.69 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 64.29 101.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.09 118.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -176.01 138.49 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.44 156.03 0.54 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 -60.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 83.6 p -148.34 176.4 10.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -42.49 124.74 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 ' O ' ' A' ' 17' ' ' THR . 54.4 m -158.46 45.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.411 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 67.2 -170.64 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.653 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -130.55 159.99 68.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 1.44 7.7 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.022 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 24' ' ' PHE . 4.3 m 44.11 92.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -20.97 59.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -91.36 18.9 6.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' THR . 0.1 OUTLIER -117.13 3.18 12.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 111.045 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -113.8 -21.62 10.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 28.5 mt-10 -89.79 12.52 16.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -120.22 -35.78 0.85 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.563 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -70.59 -73.42 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -88.05 40.25 0.94 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 26' ' ' GLU . 8.0 tt0 -58.32 -48.93 78.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.153 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -64.19 -37.09 86.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.512 ' HG3' HD12 ' A' ' 58' ' ' ILE . 5.3 mp0 -51.67 -58.95 4.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -47.51 -40.25 18.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -68.48 -38.44 81.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' CA ' ' OE1' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -59.61 -59.13 5.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.821 ' HG ' HD11 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -49.52 -37.59 27.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -59.4 -14.02 10.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.11 -39.04 4.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.594 HD13 HD11 ' A' ' 62' ' ' ILE . 26.3 mt -55.18 -42.39 73.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.24 40.15 0.02 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 28.5 m-85 -145.91 -157.96 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -176.57 -57.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.781 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.1 t-20 -40.15 97.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HG3' HD22 ' A' ' 33' ' ' LEU . 3.6 ttm180 -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -50.0 74.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.781 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -64.46 -40.39 95.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.778 ' O ' HD12 ' A' ' 51' ' ' LEU . 85.6 m-20 -61.0 -38.58 86.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.722 HD13 HD21 ' A' ' 33' ' ' LEU . 4.2 tp -71.55 -62.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -39.06 -36.22 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.629 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.19 11.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.353 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.778 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.2 mt -50.36 -59.92 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 48' ' ' LEU . 34.0 m -54.65 -28.38 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -69.72 -31.32 69.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 50' ' ' ALA . 25.2 p -102.73 14.82 31.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 68.54 31.62 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.507 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 80.51 36.12 24.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -103.5 83.54 2.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.821 HD11 ' HG ' ' A' ' 36' ' ' LEU . 13.3 tt -47.19 -36.31 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -58.71 -57.4 13.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.578 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.17 -15.16 61.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -77.97 -38.76 44.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.594 HD11 HD13 ' A' ' 39' ' ' LEU . 18.8 mt -52.06 -66.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.2 -45.4 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.539 ' CE ' ' HB3' ' A' ' 53' ' ' ALA . 1.9 mtp -63.45 -31.34 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD11 ' HA ' ' A' ' 47' ' ' ASN . 26.1 mt -86.67 -25.1 25.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.8 OUTLIER -60.76 -20.47 61.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.09 32.33 4.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.147 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.71 -71.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.99 141.61 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.945 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -149.94 -84.54 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.35 18.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.507 1.793 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.4 t -76.41 170.81 15.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 72.01 -66.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 111.049 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 p -129.6 -58.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.31 129.21 7.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.34 -70.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.32 -58.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.014 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -93.44 159.54 15.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 110.016 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.92 -161.23 34.55 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.4 62.55 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.1 -64.33 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.18 139.43 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -167.16 146.8 5.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 108.322 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.84 151.46 32.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -89.3 99.46 12.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.9 m -66.45 169.73 7.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.6 p -74.33 167.51 21.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.044 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -50.97 165.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 t -69.39 169.28 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.38 164.81 29.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 5.0 mp -131.35 149.78 74.57 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -75.03 102.09 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.501 HG22 ' H ' ' A' ' 24' ' ' PHE . 1.3 m -91.14 129.11 37.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -44.07 88.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -64.08 -12.86 43.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.501 ' H ' HG22 ' A' ' 21' ' ' THR . 0.1 OUTLIER -87.43 0.23 55.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 111.043 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.2 t -139.03 -42.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 30.1 mt-10 -74.94 -1.39 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -109.32 -19.34 8.48 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.22 -55.76 5.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.697 ' CE1' HG12 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -114.0 48.65 1.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 33' ' ' LEU . 5.5 tt0 -61.11 -55.48 32.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -54.49 -41.82 70.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.606 ' HA ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -52.53 -56.18 17.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.756 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.2 mt -52.3 -38.57 58.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.5 -39.49 85.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.819 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -60.58 -59.59 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 HD11 ' A' ' 51' ' ' LEU . 1.2 mt -49.54 -35.58 20.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -61.28 -13.04 15.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -115.49 -37.9 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.993 HD13 HD11 ' A' ' 62' ' ' ILE . 24.9 mt -56.16 -42.08 76.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.41 40.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HZ ' HG23 ' A' ' 62' ' ' ILE . 42.1 m-85 -144.5 -163.06 1.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 110.977 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -175.47 -41.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.681 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 10.3 t-20 -55.07 89.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.756 ' HG3' HD22 ' A' ' 33' ' ' LEU . 2.5 ttm180 -58.66 -43.6 89.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.51 -55.24 37.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.681 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -58.84 -48.61 80.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.823 ' O ' HD12 ' A' ' 51' ' ' LEU . 86.2 m-20 -53.64 -42.87 68.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 33' ' ' LEU . 3.8 tp -66.47 -63.87 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -41.44 -36.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.835 ' O ' HG23 ' A' ' 54' ' ' THR . . . -78.16 -49.66 13.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.4 mt -53.49 -56.39 17.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.233 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.697 HG12 ' CE1' ' A' ' 29' ' ' TYR . 27.9 m -57.34 -33.35 43.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -64.55 -28.62 69.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 50' ' ' ALA . 18.4 p -99.95 -1.19 37.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' THR . 1.6 t70 82.15 26.12 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.18 6.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.501 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -109.34 76.97 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.771 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.606 HD12 ' HA ' ' A' ' 32' ' ' GLU . 12.0 tt -40.33 -47.79 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -51.41 -51.16 57.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.616 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -73.32 -20.9 60.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -72.58 -47.37 48.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.993 HD11 HD13 ' A' ' 39' ' ' LEU . 41.8 mt -45.62 -62.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.596 ' HA ' HD12 ' A' ' 66' ' ' LEU . 12.6 pt-20 -48.84 -47.15 42.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.579 ' SD ' HG22 ' A' ' 54' ' ' THR . 56.8 mtp -64.65 -30.54 71.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' HA ' ' A' ' 47' ' ' ASN . 8.4 mt -84.83 -22.67 29.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' A' ' 63' ' ' GLU . 64.1 mt -68.1 -17.29 64.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.97 32.41 5.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.9 -46.1 9.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 170.01 15.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.79 116.87 7.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.467 1.104 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -54.48 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.495 1.787 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t 57.82 96.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.051 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.9 t -156.87 165.47 36.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.984 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -100.92 87.97 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.977 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.91 148.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.7 176.24 48.83 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.2 p -133.55 95.03 3.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.55 86.28 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.12 158.61 7.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 48.63 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.68 158.37 43.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.92 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 73.82 119.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 108.277 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 162.08 13.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.045 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -83.41 126.86 33.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.329 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -148.96 -58.87 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.004 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -60.09 112.74 2.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -57.13 163.76 1.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 15.0 t -90.85 156.98 17.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.412 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.574 ' HB3' ' O ' ' A' ' 17' ' ' THR . . . 76.1 93.6 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' O ' ' A' ' 18' ' ' ALA . 0.2 OUTLIER -113.38 127.92 26.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.02 6.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.451 1.763 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.464 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 2.1 m -94.92 117.99 31.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.385 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -62.24 -36.08 80.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.464 ' HG ' ' CG2' ' A' ' 21' ' ' THR . 0.3 OUTLIER -70.13 -6.3 33.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.427 ' HB2' ' HB ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -106.27 2.59 26.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 p -112.92 -21.39 11.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.424 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 22.2 mt-10 -83.19 -0.98 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -115.33 -17.23 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.497 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.44 -62.95 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 0.764 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.497 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.7 m-85 -101.81 41.85 1.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.42 -46.7 87.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -65.76 -37.66 86.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.64 ' CB ' HD12 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -51.03 -56.8 10.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.285 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.757 HD22 ' CG ' ' A' ' 44' ' ' ARG . 2.2 mt -49.9 -40.2 42.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -66.65 -39.01 88.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.826 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -59.43 -59.94 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.816 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.2 mt -49.58 -36.32 23.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -60.35 -13.75 14.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.74 -38.41 3.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.826 HD21 ' OE2' ' A' ' 35' ' ' GLU . 26.4 mt -55.52 -42.09 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.85 40.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.157 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.0 m-85 -146.74 -158.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 0.751 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . 179.53 -40.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.48 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 28.0 t-20 -54.75 89.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.757 ' CG ' HD22 ' A' ' 33' ' ' LEU . 4.6 ttm180 -57.4 -45.02 85.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.56 -57.9 10.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -57.87 -44.5 86.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.836 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.7 m-20 -56.66 -40.34 75.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 33' ' ' LEU . 4.3 tp -71.25 -62.79 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.04 -36.29 0.47 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.785 ' O ' HG23 ' A' ' 54' ' ' THR . . . -80.38 -49.3 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 47' ' ' ASN . 1.8 mt -52.59 -55.47 22.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 48' ' ' LEU . 27.5 m -57.91 -28.25 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -70.19 -27.75 64.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 50' ' ' ALA . 14.2 p -99.9 4.4 45.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' THR . 2.2 t70 81.26 14.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.276 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 96.76 32.01 6.75 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.3 84.86 2.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 0.731 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.816 HD11 ' HG ' ' A' ' 36' ' ' LEU . 5.5 tt -43.21 -48.21 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -46.09 -54.42 8.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.627 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 63' ' ' GLU . . . -71.92 -23.56 61.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -67.63 -41.14 84.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.627 ' O ' HD13 ' A' ' 66' ' ' LEU . 36.5 mt -51.14 -68.66 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 8.5 pt-20 -41.52 -47.05 3.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.0 mmm -63.55 -36.77 84.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.2 mt -79.4 -20.82 46.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD13 ' O ' ' A' ' 62' ' ' ILE . 3.7 mp -69.38 -16.13 63.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.06 25.97 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 111.049 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.2 -66.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.73 153.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.055 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.0 -85.07 1.56 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 111.08 3.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.74 164.88 9.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.0 t -102.24 135.8 43.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.8 p -77.76 141.19 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 0.772 . . . . 0.0 109.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -135.09 92.36 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.45 -148.12 6.47 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -169.56 169.09 8.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 0.738 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.5 m -152.3 169.38 22.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.02 147.83 18.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.38 173.3 3.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.8 168.22 10.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.4 121.43 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -149.52 162.37 40.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 108.273 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.3 p -154.28 -51.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.978 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -39.26 -58.44 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 126.79 15.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 t -165.96 -59.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -160.52 90.03 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 17' ' ' THR . 98.9 m -105.02 44.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.61 150.1 24.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 mp -131.97 154.35 81.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 64.67 6.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 24' ' ' PHE . 1.0 OUTLIER -75.4 124.88 27.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.415 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.3 t -54.9 -31.09 59.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -82.19 4.81 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' N ' HG22 ' A' ' 21' ' ' THR . 0.3 OUTLIER -119.39 0.32 11.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.511 ' C ' HD21 ' A' ' 48' ' ' LEU . 11.0 p -109.92 -25.02 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 7.9 mt-10 -88.76 13.51 12.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.43 -36.54 0.74 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.531 ' HD3' ' CE1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -68.65 -73.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.787 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' A' ' 28' ' ' ARG . 1.9 m-85 -88.04 41.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -57.29 -51.07 70.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -61.58 -40.14 93.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' CB ' HD12 ' A' ' 58' ' ' ILE . 11.2 mp0 -49.34 -58.01 5.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.748 HD22 ' HG3' ' A' ' 44' ' ' ARG . 2.5 mt -49.23 -40.14 32.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -67.75 -39.19 84.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.844 ' OE2' HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -58.82 -59.69 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.684 ' HG ' HD11 ' A' ' 58' ' ' ILE . 1.0 OUTLIER -49.73 -36.64 26.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -60.16 -13.55 12.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' GLU . . . -114.95 -38.81 3.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.844 HD21 ' OE2' ' A' ' 35' ' ' GLU . 25.3 mt -55.43 -42.15 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 153.5 40.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 26.4 m-85 -146.62 -157.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 0.743 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 44' ' ' ARG . . . -178.37 -53.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.831 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 5.5 t-20 -43.31 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.748 ' HG3' HD22 ' A' ' 33' ' ' LEU . 6.1 ttm180 -65.35 -44.97 86.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.21 -48.81 80.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.831 ' HB3' ' HB3' ' A' ' 43' ' ' ASN . . . -65.5 -45.89 81.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.108 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.779 ' O ' HD12 ' A' ' 51' ' ' LEU . 92.1 m-20 -55.86 -37.37 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.701 HD13 HD21 ' A' ' 33' ' ' LEU . 4.8 tp -72.61 -61.95 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.44 -36.26 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.676 ' O ' ' HB3' ' A' ' 53' ' ' ALA . . . -78.73 -50.9 10.6 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.779 HD12 ' O ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -49.54 -58.46 5.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG12 ' HE2' ' A' ' 29' ' ' TYR . 24.1 m -56.81 -22.07 15.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 50' ' ' ALA . . . -76.9 -28.14 55.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.419 ' HB ' ' HB3' ' A' ' 60' ' ' ALA . 53.7 p -105.89 14.37 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.63 28.54 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 29' ' ' TYR . . . 82.49 41.03 9.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 1.8 t0 -107.9 89.99 3.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.684 HD11 ' HG ' ' A' ' 36' ' ' LEU . 6.5 tt -51.4 -34.55 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -61.61 -53.36 57.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.58 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . . . -76.03 -14.13 60.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.575 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . . . -79.16 -39.76 32.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.552 HD11 HD13 ' A' ' 39' ' ' LEU . 21.5 mt -50.03 -65.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.413 ' HA ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -45.84 -46.12 15.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.401 ' SD ' ' CG2' ' A' ' 54' ' ' THR . 68.2 mtp -63.96 -29.42 70.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 47' ' ' ASN . 16.0 mt -87.5 -25.97 23.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' ILE . 0.4 OUTLIER -58.99 -23.58 61.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 110.4 24.22 5.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.04 -69.85 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 t -76.63 -56.46 4.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -40.02 121.78 1.71 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.18 3.49 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.5 m 61.69 93.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.65 147.5 46.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 179.972 . . . . . . . . 0 0 . 1 stop_ save_