data_2db9_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 2db9 _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 ' 12' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.04 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.3 m 21.16 89.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -31.82 63.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 172.43 7.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.94 -8.63 20.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.0 mt-10 -71.71 -57.79 4.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 67.9 mm-40 -46.46 -41.49 14.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.15 -31.5 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' GLU . 4.2 m-20 -70.99 -26.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 46.2 mtp180 -63.51 -39.8 95.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 133' ' ' ILE . 30.3 m -104.75 30.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 15.0 ttp85 -93.05 91.15 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.58 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 6.9 mt -41.29 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' NH2' ' A' ' 24' ' ' ARG . 80.3 p -135.92 138.4 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' SER . 13.8 ttp180 -38.8 -41.86 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.1 -68.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 10.5 mtmt -46.13 -38.45 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' CYS . 80.1 mt -67.04 -46.9 73.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -28.33 67.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -88.12 -50.15 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.582 ' CZ2' ' HD2' ' A' ' 29' ' ' LYS . 12.3 m0 -67.3 -16.94 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.13 -16.05 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.4 p80 -111.1 6.91 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 34.4 mmm -102.22 159.42 29.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.409 ' O ' ' OG1' ' A' ' 42' ' ' THR . 21.3 p90 -81.95 47.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -81.48 -72.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -52.54 -44.73 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -50.48 65.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.5 m -69.58 -72.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 4.3 m -35.32 -34.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 5.6 m -68.61 106.89 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.14 -11.92 12.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 56.5 m -88.31 -166.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 31.4 m-85 -143.99 140.23 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 66' ' ' ILE . 20.7 m -129.45 159.79 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.621 ' NH2' ' CD2' ' A' ' 61' ' ' TYR . 1.4 ttt-85 -102.08 115.3 30.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.238 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.0 tp -100.68 144.06 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -105.37 77.46 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.505 HD13 ' CG1' ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.505 ' CG1' HD13 ' A' ' 52' ' ' ILE . 1.5 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.621 ' CD2' ' NH2' ' A' ' 49' ' ' ARG . 57.6 m-85 -153.52 156.2 37.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.471 ' CG ' HG22 ' A' ' 52' ' ' ILE . 12.0 mmm180 -146.02 144.38 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.492 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 73.4 t -87.08 135.36 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -136.72 149.47 47.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.91 123.24 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.433 HD12 ' CG1' ' A' ' 48' ' ' VAL . 51.2 mt -64.51 122.42 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 p -101.93 -15.06 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.64 -169.36 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 79.1 t -132.69 124.7 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -98.7 -177.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.8 pt-20 -133.43 121.88 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -95.43 179.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.64 -31.08 10.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -94.89 144.85 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 39.1 t -107.21 150.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 33.1 p90 -136.44 159.03 43.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -75.76 152.08 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.4 tp -151.33 73.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.2 29.34 60.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.45 -39.47 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -84.37 146.42 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.504 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -109.18 112.67 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.465 HG21 ' CE1' ' A' ' 76' ' ' TYR . 13.2 t -113.7 167.01 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 9.7 p-10 -141.26 44.48 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -118.72 112.25 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.32 118.76 4.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.06 114.51 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -77.83 97.75 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 17.5 mt -100.12 159.8 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -135.77 116.81 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASP . 69.8 t60 -96.99 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 71.13 -112.32 4.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -105.44 14.11 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -122.79 135.33 54.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.99 165.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.482 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.7 mtt-85 -158.96 -178.34 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.7 t -153.81 103.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 50' ' ' ILE . 83.6 m-85 -108.08 -172.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 16.0 mmt-85 -116.13 161.33 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.7 mp -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 pt-20 -50.4 -38.97 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.3 m-30 -78.09 -30.57 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 30' ' ' LEU . 9.9 t -59.71 96.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -147.25 64.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -130.71 161.72 31.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.16 127.87 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 8.5 m-85 -50.87 105.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.6 p -54.51 147.08 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -52.8 -25.45 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . 16.8 m -78.01 -65.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -38.93 -56.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.3 t80 -46.45 -52.89 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.16 -41.18 81.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -60.2 -46.19 90.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.492 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -66.77 -44.08 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 107.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.439 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -48.86 -42.28 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -45.89 -51.35 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.56 -39.35 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.448 ' HE3' ' CD2' ' A' ' 127' ' ' LEU . 28.9 mmm -73.4 -39.87 64.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.14 -28.84 63.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.6 t -76.51 -44.46 35.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.487 ' CB ' ' SD ' ' A' ' 125' ' ' MET . . . -78.0 -11.93 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.01 11.52 85.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 11.7 mtp -72.55 167.08 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.436 ' O ' ' CE ' ' A' ' 120' ' ' MET . 7.7 mt-30 -108.22 151.55 25.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.593 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -92.95 -174.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.0 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.1 p -80.17 139.34 36.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -42.35 -30.27 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.64 -50.33 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -63.19 -43.94 96.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.5 mm -51.21 -53.83 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.71 -62.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -44.24 -54.38 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.0 tppt? -56.46 -59.63 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 140' ' ' ILE . 6.8 tp10 -44.2 -54.8 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -27.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -75.54 -39.96 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -60.21 -45.72 95.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.19 -63.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.248 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.01 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.641 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.4 m 18.42 91.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -33.03 65.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.01 171.72 8.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.574 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.96 -20.51 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.05 -51.81 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.481 ' HG2' ' CD1' ' A' ' 16' ' ' LEU . 26.9 mm-40 -50.27 -41.0 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.41 -25.12 64.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.9 -19.64 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -74.5 -33.71 62.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 133' ' ' ILE . 5.0 m -106.13 9.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 106' ' ' GLN . 40.8 ttp85 -73.92 92.01 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 4.7 mt -44.47 152.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -120.2 130.82 54.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.973 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -37.56 -50.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.2 m-70 -51.4 -57.96 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 mtmt -52.05 -43.83 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 25' ' ' LEU . 60.1 mt -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -26.14 65.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -88.85 -50.63 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.5 m0 -68.05 -15.82 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.39 -17.45 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.301 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 34.9 t60 -109.59 4.75 22.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.473 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 18.3 mmm -97.71 160.04 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -83.79 45.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' TRP . 50.9 t80 -77.55 -69.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -62.52 -21.23 65.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -34.87 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' VAL . 87.1 m -89.68 -68.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 30' ' ' LEU . 15.5 m -35.94 -36.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.2 m -66.67 108.12 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.41 -19.89 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.475 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 58.6 m -89.79 164.98 14.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.593 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 26.7 m-85 -110.88 144.79 39.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.487 ' CG2' HD11 ' A' ' 89' ' ' LEU . 20.9 m -132.32 145.07 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -90.92 121.82 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.543 HG12 ' CD2' ' A' ' 98' ' ' PHE . 8.5 tp -100.58 141.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.84 81.08 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 52' ' ' ILE . 1.4 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -131.35 158.9 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -141.37 129.03 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG12 ' CZ ' ' A' ' 108' ' ' PHE . 46.6 t -78.79 144.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -154.56 162.5 41.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.7 tt0 -121.01 130.59 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.429 ' CD1' HG11 ' A' ' 48' ' ' VAL . 34.2 mt -66.9 113.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.5 p -99.21 4.02 46.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.16 -173.93 33.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.51 123.15 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.1 m -98.46 -179.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -131.74 117.57 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.3 p -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.61 -32.01 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -97.54 146.54 25.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 22.7 t -108.58 146.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 20.0 p90 -137.0 158.3 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -69.98 152.19 44.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' THR . 14.4 tp -153.46 86.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.7 20.76 70.5 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.07 -39.14 2.75 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 78' ' ' LEU . 14.7 t -84.15 146.45 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.6 mtt85 -103.25 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.527 HG23 ' CE1' ' A' ' 76' ' ' TYR . 13.8 t -113.02 168.22 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.443 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 5.5 p-10 -140.53 16.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -93.87 128.89 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.65 117.6 5.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 30' ' ' LEU . 8.6 mt -65.45 118.03 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.48 96.18 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.487 HD11 ' CG2' ' A' ' 48' ' ' VAL . 12.1 mt -104.94 130.38 53.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -110.31 162.73 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.435 ' CE1' ' CB ' ' A' ' 119' ' ' ALA . 78.4 t60 -143.06 124.19 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.438 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 56.58 -96.0 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.17 18.81 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.61 153.2 37.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.72 129.23 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' LEU . 3.6 ttt180 -119.67 -177.43 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -149.26 130.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD2' HG12 ' A' ' 50' ' ' ILE . 90.2 m-85 -131.82 -171.98 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 96.9 mtt180 -120.46 160.01 23.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -67.58 -28.54 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -64.63 -29.96 70.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.6 m-30 -86.93 -25.56 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.78 141.58 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -110.47 176.1 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -134.21 64.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.6 mp0 -116.63 177.92 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.54 113.36 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.465 ' CZ ' HG12 ' A' ' 63' ' ' VAL . 7.0 m-85 -40.89 134.74 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -105.48 147.64 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -40.75 -56.13 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.2 m -41.85 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -43.53 -62.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.5 t80 -39.51 -51.13 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.9 mmt -71.26 -35.27 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -64.96 -47.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.42 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -65.67 -45.85 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.18 -48.42 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -39.81 -52.47 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.435 ' CB ' ' CE1' ' A' ' 91' ' ' HIS . . . -53.41 -44.55 68.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 29.9 mmm -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.88 -36.75 80.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -39.86 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.04 -2.31 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.66 29.9 64.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.0 -172.61 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 120' ' ' MET . 81.0 mt-30 -126.43 152.51 46.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.599 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -93.8 -173.74 0.37 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.08 121.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -68.83 138.61 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.48 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 2.5 mm? -38.34 -36.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -63.45 -60.14 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -40.35 51.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.497 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 3.1 mm -55.81 -60.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.18 -57.7 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -47.31 -52.05 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -62.16 -55.68 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -38.49 -61.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -44.16 -49.33 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -45.22 41.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.74 -57.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -60.81 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.59 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.1 Cg_endo -75.01 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 24.62 88.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -56.18 -31.72 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.56 172.87 6.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -75.01 -11.79 21.47 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -67.81 -51.44 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 69.6 mm-40 -51.51 -36.65 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.32 -18.25 61.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -88.13 -18.28 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -71.69 -34.16 69.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 133' ' ' ILE . 3.7 m -101.94 10.44 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 57.2 ttp85 -75.95 120.33 21.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 46' ' ' CYS . 28.3 mt -75.8 -178.54 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -147.68 132.65 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.0 ttp-105 -34.32 -44.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.0 -63.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -46.07 -44.38 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 39.4 mt -64.27 -45.44 88.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 81' ' ' THR . 0.5 OUTLIER -59.95 -20.91 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -96.49 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 33' ' ' TRP . 10.7 m0 -67.34 -16.13 64.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 t -68.21 -17.57 64.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 8.2 p80 -114.75 20.26 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.558 ' SD ' ' CE1' ' A' ' 35' ' ' HIS . 22.6 mmm -135.17 164.13 46.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 40.2 p90 43.93 21.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' N ' ' C ' ' A' ' 37' ' ' PRO . 72.3 t80 -67.18 -69.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -61.9 -23.0 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -77.06 -36.77 55.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' THR . 49.4 m -83.1 -70.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' THR . 12.8 m -36.75 -33.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.8 m -67.31 113.47 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.97 -2.31 22.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 74.2 m -97.0 -171.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 33.0 m-85 -139.51 130.45 26.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 89' ' ' LEU . 29.1 m -126.82 153.46 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mtp180 -89.98 118.01 29.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 HG12 ' CG ' ' A' ' 98' ' ' PHE . 5.9 tp -101.73 149.8 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.25 113.0 4.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.461 ' CG1' HG12 ' A' ' 60' ' ' VAL . 2.4 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 HG12 ' CG1' ' A' ' 52' ' ' ILE . 2.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -125.25 146.31 49.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.425 ' HG3' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.98 127.8 29.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 108' ' ' PHE . 48.7 t -57.58 138.09 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -144.08 135.96 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.83 134.96 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.1 mt -72.7 123.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 p -110.53 -5.43 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.96 -174.51 37.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 78.6 t -133.8 119.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.16 176.45 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -121.59 152.61 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -127.78 176.76 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.54 -30.25 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -91.73 146.77 23.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 24.1 t -114.49 147.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 27.7 p90 -136.34 156.17 49.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.75 154.17 42.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -154.43 91.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.38 13.59 50.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.87 -41.28 1.68 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' LEU . 13.8 t -84.34 145.11 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.475 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -104.37 113.2 26.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -113.82 167.18 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 9.6 p-10 -140.94 45.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -116.3 118.52 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 115.22 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.83 113.03 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.38 98.59 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 48' ' ' VAL . 13.5 mt -104.84 148.35 26.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.71 119.57 23.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -109.73 99.38 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.89 -130.69 10.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -94.69 18.4 11.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.4 147.47 49.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -108.61 153.98 22.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.9 mtt180 -143.96 175.52 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.3 t -148.79 107.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 92.4 m-85 -115.25 -168.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 40.5 mtt180 -119.8 163.88 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.99 -34.79 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.8 pt-20 -59.02 -39.04 80.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -80.04 -6.61 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.7 t -89.02 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -103.08 114.69 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -39.18 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 52.69 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.29 119.17 20.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CZ ' HG11 ' A' ' 63' ' ' VAL . 9.3 m-85 -44.53 136.12 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.5 t -107.44 137.29 45.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -38.2 -47.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -47.19 -67.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 115' ' ' LYS . 48.9 mt-10 -56.06 -55.28 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.9 t80 -39.59 -40.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.75 -36.97 42.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' GLU . 10.3 mmtp -61.59 -46.82 88.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.434 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.7 t90 -65.46 -44.71 86.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.44 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.8 OUTLIER -47.92 -44.68 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.18 -50.46 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.2 -38.13 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 22.9 mmm -74.47 -38.41 62.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.19 -28.49 64.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.5 t -81.83 -45.86 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.483 ' CB ' ' SD ' ' A' ' 125' ' ' MET . . . -72.82 -12.4 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.0 81.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.483 ' SD ' ' CB ' ' A' ' 123' ' ' ALA . 15.8 mtp -77.38 170.06 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 48.5 mt-30 -112.1 152.2 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.558 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -93.29 -177.45 0.7 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.1 Cg_endo -75.04 130.03 12.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.37 139.7 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.374 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.76 -32.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -52.08 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.8 mm-40 -61.07 -43.17 99.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.501 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -57.54 -45.32 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.06 -63.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -48.94 -39.88 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.41 -52.5 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.9 tt0 -46.64 -61.43 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -44.37 -46.79 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -44.11 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.72 -53.27 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.3 mppp? -48.17 -63.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.613 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.93 104.35 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.0 OUTLIER 22.69 89.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -30.92 61.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 172.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.95 -23.9 13.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -53.72 -56.14 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 50.4 mm-40 -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 47' ' ' PHE . 7.5 tp -65.02 -27.84 69.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -76.58 -26.59 55.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -67.09 -25.38 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG2' HD12 ' A' ' 133' ' ' ILE . 16.6 m -118.84 14.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 41.7 ttp85 -83.9 90.86 7.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 5.8 mt -48.54 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 35.9 p -129.0 136.12 49.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 8.0 ttp-105 -36.4 -41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -53.67 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -50.89 -45.92 60.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 34' ' ' CYS . 55.0 mt -57.52 -50.26 73.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -21.37 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.54 -48.94 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 11.6 m0 -67.72 -15.99 63.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 107.978 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t -66.91 -14.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 108.254 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -112.05 9.81 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 40.5 mmm -108.36 160.39 27.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.06 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' OG1' ' A' ' 42' ' ' THR . 19.0 p90 -79.12 49.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' VAL . 76.1 t80 -86.54 -69.1 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -53.9 -45.93 71.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -49.32 74.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.8 m -69.06 -72.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 25.0 m -35.36 -37.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.1 m -62.2 105.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.97 -26.81 7.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' SG ' ' CD1' ' A' ' 140' ' ' ILE . 66.5 m -75.37 166.42 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 16.0 m-85 -118.15 150.26 39.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG2' HD13 ' A' ' 89' ' ' LEU . 27.3 m -142.48 154.99 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -96.98 124.34 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 98' ' ' PHE . 6.5 tp -100.53 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -111.06 74.26 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.492 HD13 ' CG1' ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.492 ' CG1' HD13 ' A' ' 52' ' ' ILE . 3.7 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -150.92 165.12 34.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -151.42 140.25 20.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG23 ' CD1' ' A' ' 108' ' ' PHE . 46.6 t -87.09 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.14 44.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.84 133.14 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.57 127.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 p -115.18 6.89 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.27 179.37 26.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 77.5 t -125.59 121.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.65 -178.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.5 pt-20 -132.7 121.65 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p -94.73 175.8 6.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.41 -32.82 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -94.16 151.27 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 30.5 t -116.62 150.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.1 p90 -134.61 163.46 29.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.03 144.56 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' THR . 57.4 tp -136.58 67.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.19 71.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.01 -49.23 0.89 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.9 t -83.38 142.34 31.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -104.15 113.64 27.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 76' ' ' TYR . 15.3 t -111.81 168.75 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.455 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 2.8 p-10 -139.31 16.27 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HE3' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mtpp -89.19 114.74 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.61 113.71 3.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.49 114.73 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.23 95.74 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 48' ' ' VAL . 12.4 mt -99.94 142.87 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -117.32 130.98 56.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -117.64 102.32 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.49 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 65.33 -129.9 34.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.73 15.93 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 143.24 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.86 158.87 15.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 9.5 mtt180 -147.27 179.28 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.1 t -154.13 107.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 50' ' ' ILE . 88.4 m-85 -112.13 -171.06 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 83.4 mtt180 -119.89 159.19 25.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.4 -36.73 76.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 11.6 pt-20 -57.39 -32.13 66.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 16.1 m-30 -90.32 -13.71 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.3 t -74.4 99.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -53.01 160.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -123.89 36.74 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.496 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 mp0 -111.88 166.22 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.6 140.72 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 10.6 m-85 -58.05 122.87 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 p -77.78 175.73 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.46 -23.98 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 20.0 m -79.0 -70.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 10.4 mm-40 -37.78 -62.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 28.4 t80 -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.5 mmt -76.19 -41.91 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -59.5 -44.18 93.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.9 t90 -66.69 -47.91 70.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.433 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -44.45 -47.93 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.88 -51.03 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.88 -45.66 71.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.47 ' HE3' ' CD2' ' A' ' 127' ' ' LEU . 24.8 mmm -66.3 -41.04 90.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -68.87 -35.84 77.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -72.54 -38.24 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.57 9.38 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 47.88 39.12 17.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.67 -171.53 2.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.42 ' O ' ' CE ' ' A' ' 120' ' ' MET . 37.5 mt-30 -127.77 142.96 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -88.76 -179.33 1.25 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 130.67 13.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -79.89 140.2 36.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.48 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 1.9 mm? -38.59 -31.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 6.9 t0 -66.88 -56.42 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -56.07 -29.19 60.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 23' ' ' VAL . 2.4 mm -69.52 -53.44 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.08 -53.89 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -52.61 -41.85 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 132' ' ' GLU . 14.7 tppt? -70.94 -51.85 23.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.34 -59.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -46.06 -48.64 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -43.41 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.43 HD11 ' CD ' ' A' ' 136' ' ' LYS . 2.4 mp -63.87 -53.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -51.14 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 151.48 39.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG1' HD12 ' A' ' 133' ' ' ILE . 4.4 m -37.14 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.434 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -85.6 -2.87 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.504 ' C ' ' CZ ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -145.35 161.36 41.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.07 20.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.2 mt-10 -68.87 -69.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 51.5 mm-40 -42.03 -50.06 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.8 -38.92 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -61.43 -26.5 67.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 49.5 mtp180 -63.43 -48.16 78.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -89.41 24.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -82.82 92.34 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HG ' ' CB ' ' A' ' 46' ' ' CYS . 12.6 mt -51.42 163.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 p -136.73 134.73 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -39.33 -48.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -45.7 -62.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -50.57 -56.99 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 68.7 mt -48.77 -45.58 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -23.12 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.4 mtt180 -97.44 -49.36 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.464 ' HA ' ' CG ' ' A' ' 36' ' ' MET . 11.9 m0 -66.93 -18.29 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.31 -16.41 60.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p-80 -111.19 5.31 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.464 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 39.4 mmm -100.09 160.74 26.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -79.67 48.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -82.83 -74.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -50.86 -46.01 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.56 -52.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 94.3 m -65.42 -72.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 11.4 m -35.96 -35.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.4 m -66.1 111.92 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.23 9.95 16.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.428 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 9.3 m -119.11 -179.39 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.1 m-85 -130.55 138.3 50.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.24 152.35 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' NH1' ' OE2' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -90.25 104.89 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.58 HG12 ' CD2' ' A' ' 98' ' ' PHE . 3.1 tp -100.66 149.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.64 104.1 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 52' ' ' ILE . 8.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.41 ' N ' HG22 ' A' ' 60' ' ' VAL . 38.0 m-85 -152.06 144.84 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 7.7 mmp_? -130.08 126.74 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 128.74 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.66 162.37 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.9 tt0 -120.77 131.6 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.4 mt -73.62 120.34 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.411 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -106.67 -5.79 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.11 -169.28 37.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.409 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 60.4 t -135.45 132.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.0 m -107.44 -176.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 128.03 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.6 p -100.24 -177.13 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.11 -30.09 8.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 149.97 22.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.563 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 14.4 t -114.69 143.82 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 11.0 p90 -134.17 168.02 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -82.34 144.76 30.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' THR . 39.8 tp -133.64 62.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.25 86.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.83 -61.45 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.9 t -82.9 148.57 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -112.92 114.27 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 76' ' ' TYR . 14.9 t -113.91 146.09 40.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 4.3 p-10 -111.36 35.32 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.82 157.14 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.76 125.49 5.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.417 HD11 ' CG2' ' A' ' 103' ' ' VAL . 9.3 mt -78.99 112.76 16.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.41 96.44 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.24 158.47 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 6.8 ttm-85 -135.68 125.88 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -115.48 102.52 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.425 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 69.45 -119.33 9.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -104.23 19.56 19.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.05 135.05 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -94.42 160.79 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.449 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mtt-85 -148.12 178.81 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.9 t -152.86 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 50' ' ' ILE . 89.4 m-85 -108.1 -170.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.555 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 84.5 mtt85 -120.09 165.39 14.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.19 -37.54 85.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -52.25 -40.99 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.7 m-85 -80.52 -27.37 37.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.417 ' CG2' HD11 ' A' ' 87' ' ' LEU . 7.0 t -59.39 99.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -73.37 163.13 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -125.8 84.11 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.13 166.77 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.1 139.42 38.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -65.61 124.96 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 p -74.38 150.29 40.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.61 -26.64 56.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -79.37 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 113' ' ' PHE . 5.6 pt-20 -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CZ ' ' C ' ' A' ' 16' ' ' LEU . 26.9 t80 -55.53 -35.08 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.16 -43.64 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 12.9 mptt -54.3 -39.61 67.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -68.87 -47.04 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.443 ' CG ' HD23 ' A' ' 127' ' ' LEU . 1.0 OUTLIER -48.42 -43.52 34.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.29 -48.35 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.82 83.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.474 ' HE2' ' CD2' ' A' ' 127' ' ' LEU . 28.1 mmm -65.33 -40.07 93.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -68.98 -39.21 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -69.27 -38.86 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.71 -0.57 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.18 32.1 66.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -90.57 -173.67 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.409 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.8 mt-30 -125.25 147.0 49.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.577 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -94.22 -175.19 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.2 p -81.57 138.75 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.1 mm? -40.4 -42.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -49.65 67.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.7 OUTLIER -65.21 -45.84 83.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.502 HD12 ' CG1' ' A' ' 14' ' ' VAL . 2.0 mm -50.26 -59.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.78 -64.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -42.66 -57.33 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.8 tppt? -51.93 -61.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.7 tp10 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -31.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -70.23 -40.8 74.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 137' ' ' GLU . 1.8 mp -59.16 -46.71 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -60.08 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.369 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 15.3 m 21.99 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -20.17 66.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -142.47 171.54 7.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.0 -10.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.9 mt-10 -67.02 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' CD ' ' CD1' ' A' ' 16' ' ' LEU . 1.3 mt-10 -41.0 -49.21 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 47' ' ' PHE . 9.5 tp -62.35 -41.21 98.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 m-20 -58.32 -22.42 53.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -71.3 -33.58 69.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 133' ' ' ILE . 5.6 m -110.17 14.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' NH2' ' CG ' ' A' ' 107' ' ' GLU . 6.5 tmm_? -77.27 95.34 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.576 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 10.9 mt -56.01 156.15 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.1 p -123.55 138.02 54.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.6 ttp180 -37.4 -56.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -46.07 -67.13 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 20.5 mttp -41.67 -48.12 4.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 34' ' ' CYS . 21.0 mt -59.7 -65.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -36.08 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 mtt85 -81.03 -51.63 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 9.8 m0 -67.76 -17.37 64.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.88 -11.7 40.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -113.93 7.83 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.5 mmm -104.46 160.43 26.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' O ' ' OG1' ' A' ' 42' ' ' THR . 22.9 p90 -81.51 46.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CE1' HG12 ' A' ' 43' ' ' VAL . 11.0 t80 -82.29 -71.92 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -47.44 -53.88 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -57.26 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 38' ' ' PHE . 99.4 m -57.84 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.562 HG12 ' CE1' ' A' ' 39' ' ' PHE . 12.9 m -39.12 -45.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.538 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.9 m -52.12 105.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.09 -15.45 8.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.427 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 88.8 m -90.03 174.45 7.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.1 m-85 -120.16 144.09 47.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 89' ' ' LEU . 33.5 m -135.66 145.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 5.2 ttp85 -89.04 112.65 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.545 HG12 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -99.87 149.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.75 106.37 1.21 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.504 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.504 ' CG1' HG12 ' A' ' 52' ' ' ILE . 11.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' NH1' ' A' ' 49' ' ' ARG . 29.2 m-85 -152.83 144.81 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -129.01 127.18 41.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 ' CE1' ' A' ' 108' ' ' PHE . 54.9 t -78.59 131.47 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -134.84 166.34 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.53 128.77 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 48' ' ' VAL . 40.1 mt -64.76 112.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 p -97.9 2.59 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 -176.49 32.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 70.5 t -130.26 120.08 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.73 169.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.96 142.7 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.0 p -114.33 173.79 6.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.02 -32.74 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -96.86 141.96 29.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 40.8 t -106.94 148.95 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.489 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 34.2 p90 -136.17 156.0 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.56 150.69 46.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 9.2 tp -154.39 91.96 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.55 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.48 -39.97 2.59 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.1 t -83.94 146.74 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -106.36 112.27 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 t -113.31 166.35 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.481 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 7.4 p-10 -140.46 40.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -114.01 117.55 31.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.82 120.06 5.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.448 HD13 ' CG2' ' A' ' 103' ' ' VAL . 6.4 mt -71.25 114.48 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.373 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.5 97.15 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 48' ' ' VAL . 13.9 mt -103.54 158.85 16.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -140.22 125.14 18.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -110.22 130.37 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.41 -108.92 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -119.49 22.44 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.46 150.39 47.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 153.02 20.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 6.6 mtt-85 -144.96 176.93 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -151.44 108.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CD2' HG12 ' A' ' 50' ' ' ILE . 82.8 m-85 -113.41 -171.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.489 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 34.5 mtt-85 -116.9 174.58 6.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 7.1 mp -71.27 -33.01 69.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 13.3 pt-20 -60.23 -39.91 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -76.98 -19.96 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.448 ' CG2' HD13 ' A' ' 87' ' ' LEU . 7.6 t -72.34 103.51 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.4 173.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -119.25 -40.05 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -44.11 166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 8.9 mt-10 -81.62 167.42 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' A' ' 63' ' ' VAL . 4.8 m-85 -75.07 133.24 41.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.7 t -101.38 146.72 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' SER . 39.6 tt0 -47.48 -55.15 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' GLU . 51.0 m -39.54 -72.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.38 -59.5 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 34.4 t80 -38.54 -37.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mmt -81.6 -44.5 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.8 mptt -54.99 -42.39 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' HE2' ' A' ' 47' ' ' PHE . 4.5 t90 -67.5 -49.9 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.424 ' CG ' HD23 ' A' ' 127' ' ' LEU . 1.1 mtpp -43.76 -48.73 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -42.04 -51.14 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.31 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.516 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -67.81 -39.81 83.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -69.44 -37.9 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -72.56 -38.76 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.94 -1.14 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.88 37.57 85.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.58 -174.79 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.516 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.1 mt-30 -124.33 148.44 47.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.569 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -91.7 -176.41 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.7 p -85.86 139.14 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -43.87 -28.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.4 -48.52 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.5 mt-10 -68.6 -48.86 63.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 23' ' ' VAL . 1.1 mm -46.12 -55.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.14 -56.44 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.236 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -51.39 24.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 137' ' ' GLU . 14.6 tppt? -61.66 -56.18 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 136' ' ' LYS . 32.2 tt0 -37.66 -61.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.9 -50.33 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -41.0 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 3.1 mp -69.08 -44.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.46 -62.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.447 ' O ' ' HG ' ' A' ' 130' ' ' LEU . 4.1 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.97 156.39 43.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.504 ' CG1' HD13 ' A' ' 133' ' ' ILE . 4.4 m -39.85 97.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -67.61 -26.88 66.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.071 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 170.11 12.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.94 -7.38 19.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.2 mt-10 -65.02 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' CD ' ' CD2' ' A' ' 130' ' ' LEU . 1.5 mt-10 -44.7 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 47' ' ' PHE . 8.3 tp -63.06 -36.4 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.8 m-20 -63.46 -26.85 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 19.6 mtp85 -66.76 -51.91 50.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 m -89.37 16.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 31.6 ttp85 -80.37 88.18 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -46.65 165.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ARG . 60.5 p -135.75 137.51 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' SER . 12.8 ttp180 -36.32 -58.04 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -46.56 -64.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -42.7 -49.47 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 34' ' ' CYS . 37.2 mt -58.94 -54.41 47.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.53 -28.84 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -85.61 -50.56 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.588 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 13.8 m0 -67.24 -14.67 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.57 -17.41 64.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.293 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.8 p80 -108.15 12.45 26.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.5 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 50.9 mmm -111.17 159.22 33.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.415 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.7 p90 -77.21 50.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -85.1 -74.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -47.52 -46.3 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -54.69 25.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.579 HG23 ' CZ3' ' A' ' 33' ' ' TRP . 25.2 m -65.13 -73.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 5.9 m -34.72 -37.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -64.24 106.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.23 -15.27 8.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 m -88.92 172.64 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.0 m-85 -123.36 146.74 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 89' ' ' LEU . 28.8 m -138.97 151.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 105' ' ' ASN . 1.0 OUTLIER -93.78 112.28 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 98' ' ' PHE . 5.7 tp -100.03 149.98 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.03 104.64 1.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.507 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.507 ' CG1' HG12 ' A' ' 52' ' ' ILE . 9.2 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -153.39 150.5 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 7.0 mmp_? -132.24 127.42 35.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 79.3 t -76.2 125.3 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -130.73 165.57 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 10.3 tt0 -123.59 128.19 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.2 mt -63.55 112.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -96.78 -0.2 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.75 -167.85 35.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.8 t -138.61 123.95 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 m -100.39 -176.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.9 pt-20 -135.4 122.96 22.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 p -95.88 172.22 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.51 -35.49 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -95.61 150.5 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 42.2 t -111.72 146.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.655 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 18.1 p90 -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.5 145.31 50.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 tp -146.81 82.25 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.04 15.29 79.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.73 -34.26 4.44 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -84.47 148.26 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.1 112.4 25.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.655 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -113.91 166.47 11.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.473 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 8.8 p-10 -147.47 44.87 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -117.09 98.65 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.58 112.67 4.78 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.65 110.62 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.87 95.54 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 48' ' ' VAL . 13.0 mt -101.05 154.95 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -128.86 123.18 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 62' ' ' ARG . 44.8 t60 -111.74 100.34 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.29 -127.46 12.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.32 21.49 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.72 144.18 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.14 154.76 18.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.481 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 mtt-85 -141.19 169.7 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.2 t -142.67 101.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 50' ' ' ILE . 95.8 m-85 -109.36 -173.19 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 21.0 mtt180 -117.89 165.65 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.78 -34.69 78.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 14.4 pt-20 -58.32 -35.63 72.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.3 m-30 -84.05 -25.78 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.7 94.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.16 159.51 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.445 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 8.9 p30 -110.71 -163.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 13.6 tt0 74.51 167.09 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 12.7 pt-20 -73.3 149.04 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 6.9 m-85 -59.64 159.36 8.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -102.25 145.56 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -56.6 -26.74 56.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -75.22 -69.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -55.49 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.6 t80 -41.64 -66.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.2 mmt -58.21 -39.45 79.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -59.86 -39.09 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -70.29 -44.98 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 107.963 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.454 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.8 OUTLIER -47.82 -47.35 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.25 -52.05 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.13 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 28.7 mmm -65.72 -39.66 91.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.77 -37.85 73.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -37.97 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.37 10.41 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 46.64 41.71 13.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -98.19 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.49 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.8 mt-30 -124.64 147.06 48.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.592 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -91.88 -174.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.95 127.47 10.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -71.17 135.11 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 38.8 mt -42.07 -41.28 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -47.75 78.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -63.06 -45.47 92.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' A' ' 14' ' ' VAL . 2.7 mm -48.99 -57.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.06 -64.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -42.28 -59.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.9 tppt? -49.53 -60.13 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.6 tp10 -41.96 -56.89 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -42.53 -33.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -69.84 -44.3 70.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.935 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -56.4 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.592 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.8 m 24.91 89.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -34.56 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -134.96 174.36 4.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -19.49 17.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.7 mt-10 -61.37 -49.23 77.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 16' ' ' LEU . 35.6 mm-40 -50.14 -42.08 50.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 47' ' ' PHE . 6.9 tp -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 2.6 m-20 -78.04 -28.56 49.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 24.2 mtp85 -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' HD12 ' A' ' 133' ' ' ILE . 18.9 m -100.41 29.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 40.3 ttp85 -89.41 89.86 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.57 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 9.0 mt -44.02 155.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -122.88 130.51 52.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.053 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -37.86 -44.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -56.74 -62.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -46.37 -49.87 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 34' ' ' CYS . 22.3 mt -56.81 -55.37 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.0 mtt180 -93.19 -50.54 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 11.2 m0 -68.69 -9.37 49.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -58.53 -16.43 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.53 -19.89 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.413 ' SD ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 mmt -53.88 154.93 6.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 36' ' ' MET . 18.2 Cg_endo -75.01 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.5 p90 -82.19 12.82 3.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 33' ' ' TRP . 35.7 t80 -35.12 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -49.16 -45.35 43.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -51.86 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' THR . 5.8 m -66.59 -72.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 10.4 m -36.58 -33.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -68.62 106.57 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.75 6.64 11.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.464 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 19.2 m -112.13 170.19 8.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.9 m-85 -118.95 141.8 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.422 ' CG2' HD12 ' A' ' 89' ' ' LEU . 19.8 m -134.22 147.32 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.42 ' NH2' ' HB2' ' A' ' 61' ' ' TYR . 1.6 tpt85 -86.92 114.84 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.581 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -101.22 146.07 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.15 107.54 2.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.503 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 ' CD1' ' A' ' 52' ' ' ILE . 7.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.431 ' CE1' ' OG ' ' A' ' 104' ' ' SER . 37.8 m-85 -148.46 144.75 27.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 2.9 mmt-85 -123.04 141.28 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.522 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 84.6 t -83.91 143.67 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -149.6 154.74 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -115.79 125.34 52.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.22 115.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -104.95 1.22 28.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.76 -174.84 33.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.77 123.36 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' A' ' 97' ' ' VAL . 26.1 m -99.01 170.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 146.02 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.1 p -121.49 175.0 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.71 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -92.97 146.74 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 24.4 t -115.3 149.86 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 23.7 p90 -140.14 160.85 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -74.8 150.44 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 17.2 tp -149.15 79.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.09 22.88 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.152 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.76 -41.63 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.0 t -84.67 142.89 29.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.7 mtt180 -104.18 113.79 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.564 HG21 ' CE1' ' A' ' 76' ' ' TYR . 9.5 t -112.14 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.455 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 3.9 p-10 -140.82 17.9 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -97.16 115.74 28.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.27 124.51 6.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.02 114.8 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.15 96.27 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 11.6 mt -103.89 143.29 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -124.68 116.73 22.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -101.51 91.3 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.568 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 74.63 -129.8 11.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.19 11.86 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.09 137.23 54.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.01 155.18 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 97' ' ' VAL . 16.0 mtt180 -148.87 -179.71 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 70' ' ' VAL . 78.5 t -156.7 105.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.9 m-85 -107.97 173.99 6.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 11.3 mtp180 -99.29 154.46 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 4.8 mp -59.23 -20.11 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.4 pt-20 -74.22 -24.82 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.9 m-30 -89.61 -15.39 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.08 117.89 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -76.31 175.48 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 56.4 t30 -116.78 -38.2 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 105' ' ' ASN . 1.1 mt-30 -38.93 159.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 9.7 pt-20 -91.73 163.01 14.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -74.67 150.78 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.433 ' H ' ' CG ' ' A' ' 112' ' ' GLU . 11.8 t -122.01 160.58 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.04 -32.93 64.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -75.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -47.97 -40.65 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.2 t80 -55.61 -45.1 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.9 mmt -76.79 -34.25 57.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -65.32 -45.92 82.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.1 t90 -67.3 -43.43 81.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.431 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -48.77 -45.0 39.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.45 -50.48 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.89 71.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.474 ' HE1' ' CD2' ' A' ' 127' ' ' LEU . 24.4 mmm -64.25 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.56 -38.51 77.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -36.77 73.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.07 0.59 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.99 32.11 66.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.449 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.74 -173.5 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 120' ' ' MET . 8.2 pt20 -127.23 143.53 51.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.598 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -89.09 -177.21 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 132.51 15.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 130' ' ' LEU . 2.9 p -81.08 139.61 35.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 2.1 mm? -38.49 -42.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -59.11 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -47.01 62.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.497 HD13 ' CG1' ' A' ' 14' ' ' VAL . 1.6 mm -51.74 -50.71 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.64 -59.34 3.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.8 -52.81 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.2 tppt? -58.53 -60.57 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 tp10 -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -42.01 -39.86 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.9 OUTLIER -61.37 -43.68 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.2 mp -59.8 -49.97 81.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -50.8 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.529 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.02 154.81 42.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 133' ' ' ILE . 9.4 m -36.9 97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -67.36 -27.28 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' C ' ' CE2' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -132.18 169.65 13.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.95 -15.63 20.75 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 9.3 mt-10 -59.3 -62.05 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 70.3 mm-40 -45.43 -47.53 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.86 -36.72 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.6 m-20 -65.97 -20.48 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 30.4 mtp180 -74.95 -22.35 58.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -119.72 17.26 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -86.5 103.32 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 HD12 ' CD2' ' A' ' 30' ' ' LEU . 17.3 mt -59.81 176.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.4 p -146.87 140.46 25.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 5.7 ttp85 -36.78 -54.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.403 ' HB3' ' NH2' ' A' ' 32' ' ' ARG . 20.0 m-70 -50.77 -61.23 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -48.19 -44.79 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 40.1 mt -64.54 -42.46 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -24.77 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 3.0 mtt85 -91.82 -50.27 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.483 ' HA ' ' CG ' ' A' ' 36' ' ' MET . 11.1 m0 -67.37 -18.98 65.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.38 -17.02 64.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.281 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 3.9 p-80 -106.94 10.47 30.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -109.97 159.9 30.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -82.82 46.28 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 59.8 t80 -81.38 -73.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.91 -47.5 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -52.08 59.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 48.3 m -64.54 -72.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 17.3 m -37.25 -42.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.9 m -57.87 113.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.36 -1.67 26.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -105.24 -175.08 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 12.8 m-85 -132.27 145.97 51.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.41 ' CG2' HD12 ' A' ' 89' ' ' LEU . 27.3 m -132.85 145.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.51 110.78 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.3 tp -100.02 153.06 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.94 91.92 0.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.504 ' CG1' HG13 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.504 HG13 ' CG1' ' A' ' 52' ' ' ILE . 2.5 t . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 26.7 m-85 -141.58 149.8 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 61' ' ' TYR . 8.6 mmp_? -139.72 159.86 41.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.19 126.82 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -129.38 154.37 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 24.3 tt0 -111.43 140.73 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 8.9 mt -76.08 129.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 p -113.64 -8.96 13.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.46 -165.76 36.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.31 124.34 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 97' ' ' VAL . 21.7 m -98.89 179.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.2 pt-20 -133.36 117.5 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -87.5 174.47 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 -32.62 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -94.96 151.27 19.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' ASN . 12.1 t -110.22 148.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 34.1 p90 -135.89 160.02 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 46.6 tt0 -76.41 149.27 36.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.6 tp -148.41 90.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.78 59.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.73 -40.08 1.86 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 6.1 t -83.87 145.15 28.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.402 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mtt180 -100.6 113.03 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.517 HG21 ' CZ ' ' A' ' 76' ' ' TYR . 14.7 t -113.4 165.85 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 8.1 p-10 -138.89 43.05 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -119.91 122.47 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.71 113.24 4.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 5.7 mt -69.49 112.83 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 1.8 tt0 -76.17 112.52 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.6 mt -115.8 137.32 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.37 116.36 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.97 119.55 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.85 -126.22 41.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -98.78 21.6 11.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.88 133.32 50.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 154.01 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.582 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 17.1 mtt180 -160.88 -180.0 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' A' ' 88' ' ' GLN . 2.9 p -157.96 110.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 50' ' ' ILE . 14.8 m-85 -106.04 179.77 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -94.12 162.01 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.5 mp -65.53 -29.88 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.97 -44.84 87.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -76.82 -20.1 56.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.68 91.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 161.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -123.04 41.27 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.06 155.89 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.27 132.35 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -50.3 134.31 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.5 t -99.61 155.03 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -50.32 -57.48 7.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.0 t -41.33 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -43.51 -63.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.2 t80 -36.17 -60.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.09 -55.03 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -39.17 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.3 -49.57 48.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.445 ' CG ' HD22 ' A' ' 127' ' ' LEU . 1.2 mtpp -46.8 -42.07 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -46.97 -51.45 17.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.88 -37.61 69.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.469 ' HE2' ' CD2' ' A' ' 127' ' ' LEU . 28.4 mmm -74.88 -38.28 61.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.33 -28.47 62.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -77.4 -48.43 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.482 ' CB ' ' SD ' ' A' ' 125' ' ' MET . . . -73.65 -8.33 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.25 77.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.482 ' SD ' ' CB ' ' A' ' 123' ' ' ALA . 14.3 mtp -79.85 169.93 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' O ' ' CE ' ' A' ' 120' ' ' MET . 51.8 mt-30 -110.49 152.39 26.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.6 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -95.65 -174.14 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.07 129.52 12.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.1 p -80.07 138.88 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.6 mm? -39.35 -33.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -60.03 -53.44 57.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.0 mt-10 -63.99 -35.55 81.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.472 HD11 ' CG1' ' A' ' 14' ' ' VAL . 4.1 mm -60.16 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.45 -54.82 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -49.5 -48.73 47.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.407 ' HG3' ' CD1' ' A' ' 140' ' ' ILE . 16.0 tppt? -66.93 -53.02 35.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -40.42 -58.85 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -47.45 -50.01 23.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -44.53 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 136' ' ' LYS . 2.3 mp -61.88 -56.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -39.82 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' LYS . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.573 ' CG ' ' CD1' ' A' ' 130' ' ' LEU . 3.2 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.97 161.72 38.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.482 ' CG1' HD13 ' A' ' 133' ' ' ILE . 4.3 m -40.28 98.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -63.25 -30.1 71.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.65 171.3 9.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.93 -25.68 11.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.7 mt-10 -53.08 -59.74 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.493 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 14.4 mm-40 -47.04 -45.54 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.522 ' CD2' ' CZ3' ' A' ' 116' ' ' TRP . 6.2 tp -65.61 -26.07 67.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLU . 33.9 m-20 -82.71 -17.1 45.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 4.3 mtt85 -74.09 -29.38 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -112.29 25.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -86.43 123.91 32.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 10.3 mt -82.36 161.32 22.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ARG . 26.4 p -135.6 139.7 44.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 6.8 ttp85 -35.47 -50.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -66.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 0.9 OUTLIER -46.15 -34.36 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' CYS . 69.2 mt -70.25 -58.05 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 81' ' ' THR . 0.8 OUTLIER -47.35 -23.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -52.28 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.588 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 9.7 m0 -68.48 -11.05 59.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -63.19 -14.07 44.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -108.75 -13.76 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.27 152.16 94.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -85.5 16.96 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE1' HG13 ' A' ' 43' ' ' VAL . 51.7 t80 -40.6 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -45.1 -47.28 12.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -54.0 -52.44 60.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' VAL . 74.9 m -62.13 -72.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 39' ' ' PHE . 35.3 m -38.58 -44.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.0 m -55.92 104.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.81 -27.9 5.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.37 159.51 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 19.0 m-85 -108.87 148.4 30.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.3 m -137.53 150.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 115.07 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.6 tp -103.89 150.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.21 104.33 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.5 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.5 ' CG1' HG12 ' A' ' 52' ' ' ILE . 9.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 60' ' ' VAL . 34.9 m-85 -151.56 149.9 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 9.4 mmt180 -129.1 139.3 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 108' ' ' PHE . 74.6 t -83.94 122.4 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -131.55 160.04 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -122.79 131.03 53.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.3 mt -64.51 106.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -94.05 9.9 35.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.2 -177.49 25.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.12 121.44 51.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -98.35 177.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.46 147.78 45.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.5 p -121.38 176.73 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.51 -29.76 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -96.28 146.53 24.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 22.9 t -113.45 147.36 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.0 p90 -135.16 164.32 27.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -78.76 150.29 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.0 tp -151.46 88.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.6 19.02 70.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.45 -37.99 3.12 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LEU . 15.0 t -84.67 146.78 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.473 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.6 OUTLIER -105.46 111.72 24.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 t -113.64 166.11 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.469 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 7.5 p-10 -140.84 40.98 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -112.81 119.48 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.76 116.91 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 ' CG2' ' A' ' 103' ' ' VAL . 7.1 mt -70.36 114.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.92 98.79 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 9.2 mt -109.84 135.4 50.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -119.49 129.23 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -115.1 117.79 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 61.98 -122.69 29.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -103.68 21.58 15.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.08 137.22 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.65 155.53 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.515 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mtt-85 -145.11 177.33 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 96' ' ' ARG . 48.5 t -156.49 100.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 50' ' ' ILE . 54.9 m-85 -103.87 -168.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 99.5 mtt180 -119.41 160.43 22.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.495 ' O ' ' CD ' ' A' ' 27' ' ' ARG . 8.2 mp -62.18 -26.01 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.7 pt-20 -69.25 -17.8 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 20.5 m-30 -103.65 -9.81 18.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 30' ' ' LEU . 8.7 t -74.79 94.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 172.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -133.05 37.04 3.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.98 175.14 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.441 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 7.3 pt-20 -89.75 156.67 18.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.532 ' CE1' HG23 ' A' ' 63' ' ' VAL . 7.0 m-85 -85.23 78.7 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' PHE . 49.8 p -38.47 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.56 -26.74 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -73.57 -69.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -59.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.1 t80 -39.58 -51.78 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 mmt -69.86 -38.05 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -38.49 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 4.8 t90 -71.88 -43.33 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 108.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' HD21 ' A' ' 127' ' ' LEU . 1.0 OUTLIER -51.14 -43.34 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -45.88 -49.9 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.67 -41.88 74.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.478 ' HE1' ' CD2' ' A' ' 127' ' ' LEU . 23.7 mmm -70.62 -40.19 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.77 -33.54 68.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -73.19 -41.54 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.37 3.12 25.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.53 37.9 77.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.26 -175.63 3.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.475 ' O ' ' CE ' ' A' ' 120' ' ' MET . 10.9 pt20 -125.29 149.7 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.614 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -93.57 -172.83 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.614 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.5 Cg_endo -75.0 122.17 7.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 132' ' ' GLU . 10.5 p -62.37 130.95 47.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.573 ' CD1' ' CG ' ' A' ' 12' ' ' GLN . 47.6 mt -44.42 -30.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -45.08 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -65.98 -37.54 86.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.482 HD13 ' CG1' ' A' ' 14' ' ' VAL . 2.1 mm -55.6 -61.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -51.75 -57.2 9.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -50.69 -51.46 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -57.55 -54.43 46.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 27.7 tt0 -38.66 -63.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.404 HD22 ' NZ ' ' A' ' 141' ' ' LYS . 4.3 mm? -41.45 -51.8 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.92 -42.09 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 137' ' ' GLU . 3.0 mp -67.83 -51.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -51.4 -60.77 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.414 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.99 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.98 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.414 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -60.9 -28.7 69.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.18 170.47 11.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.01 -9.75 20.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.5 mt-10 -68.56 -57.89 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 32.9 mm-40 -46.52 -43.93 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 47' ' ' PHE . 6.5 tp -64.58 -31.42 72.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.8 m-20 -74.06 -17.19 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.99 -26.65 54.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 133' ' ' ILE . 15.7 m -115.18 15.81 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 39.2 ttp85 -81.82 99.6 9.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.4 mt -54.57 160.89 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.0 t -134.28 132.63 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.1 ttp180 -36.32 -42.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -57.07 -62.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -48.59 -48.12 39.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 34' ' ' CYS . 10.8 mt -57.99 -55.8 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.407 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -46.75 -23.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -92.59 -51.17 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.562 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 7.1 m0 -68.66 -8.93 46.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 p -61.11 -15.83 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -113.49 -13.39 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 9.2 mmt -60.68 157.9 35.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -88.08 30.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 43' ' ' VAL . 15.4 t80 -51.19 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -52.13 -41.97 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -45.47 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' VAL . 84.7 m -72.88 -71.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 39' ' ' PHE . 5.0 m -35.7 -36.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.5 m -66.38 107.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.37 -21.22 7.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.5 m -85.72 174.9 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 15.6 m-85 -120.89 141.17 50.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 33.0 m -132.27 140.36 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 123.13 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 98' ' ' PHE . 5.9 tp -100.42 147.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -113.68 70.11 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.529 HD12 ' CG1' ' A' ' 60' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.529 ' CG1' HD12 ' A' ' 52' ' ' ILE . 10.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -142.8 153.18 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -142.29 150.29 40.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.25 145.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.71 145.53 25.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.0 tt0 -109.26 132.26 54.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.445 HD13 ' CG1' ' A' ' 48' ' ' VAL . 40.2 mt -65.17 131.86 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.429 HG23 ' CB ' ' A' ' 90' ' ' ARG . 5.0 p -111.79 -7.66 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.72 -170.57 39.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 67.0 t -132.82 122.22 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.3 m -98.52 179.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -130.23 117.49 19.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.4 p -85.96 174.25 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.69 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -97.17 154.69 17.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 13.4 t -111.14 144.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 50.7 p90 -132.09 159.34 39.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -77.85 150.67 34.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 81' ' ' THR . 13.8 tp -148.93 90.06 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.62 14.68 60.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.98 -40.71 1.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.5 t -83.86 140.91 31.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.1 mtt180 -101.8 113.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.404 HG23 ' CE1' ' A' ' 76' ' ' TYR . 12.5 t -112.68 164.29 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.451 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 5.7 p-10 -132.53 38.51 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -120.66 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.83 124.61 8.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 6.0 mt -76.23 111.97 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.434 ' HA ' ' CB ' ' A' ' 97' ' ' VAL . 2.0 tt0 -76.31 109.7 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 96' ' ' ARG . 14.8 mt -113.84 123.5 49.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CB ' HG23 ' A' ' 67' ' ' THR . 9.5 ttm180 -108.21 116.9 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' ASP . 74.7 t60 -101.47 120.98 41.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.504 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 47.76 -123.9 9.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.81 16.53 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -120.22 138.04 53.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -105.31 141.66 36.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.6 mtt-85 -147.12 172.81 13.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.434 ' CB ' ' HA ' ' A' ' 88' ' ' GLN . 3.1 p -160.36 100.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 27.6 m-85 -99.4 -175.08 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 32.8 mtt180 -101.46 165.52 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 78' ' ' LEU . 7.6 mp -66.11 -29.81 70.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.4 pt-20 -62.18 -30.63 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.3 m-30 -91.36 -6.18 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.92 96.31 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -54.62 178.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -138.99 52.5 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 3.9 tt0 -117.49 179.5 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -103.93 139.21 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 13.6 m-85 -60.2 120.15 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.52 150.44 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -39.81 -64.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -39.29 -70.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 55.9 mm-40 -44.53 -63.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 25.3 t80 -37.54 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.02 -33.88 76.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 60.8 mmtt -64.6 -46.45 82.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -65.07 -43.56 91.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.426 ' CG ' HD22 ' A' ' 127' ' ' LEU . 1.4 mtpp -49.13 -46.95 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.15 -53.2 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.42 66.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 31.3 mmm -65.12 -40.88 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.66 -37.35 79.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -42.72 69.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.63 -0.28 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.44 35.63 73.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -91.58 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 6.0 mt-30 -127.21 146.1 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.571 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -92.3 -176.18 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 127.66 10.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.1 p -73.38 136.79 44.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.438 ' CD2' ' HG3' ' A' ' 19' ' ' GLU . 10.1 mt -41.04 -39.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -61.32 -50.52 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.2 mt-10 -60.82 -37.94 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 23' ' ' VAL . 2.1 mm -58.04 -54.14 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.91 -56.72 16.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.66 -49.28 38.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.424 ' CD ' HD11 ' A' ' 140' ' ' ILE . 16.0 tppt? -65.71 -50.06 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 20.9 tt0 -44.05 -60.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.46 -47.04 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.5 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.424 HD11 ' CD ' ' A' ' 136' ' ' LYS . 2.3 mp -65.72 -60.27 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.477 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -41.98 -57.3 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.542 ' HG2' ' CD2' ' A' ' 130' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 152.21 40.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 133' ' ' ILE . 5.0 m -35.89 135.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.15 -2.31 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -147.64 163.33 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 -5.19 16.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 4.7 mt-10 -73.3 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 34.0 mm-40 -49.13 -39.65 29.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.01 -23.55 61.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' OD1' ' NH1' ' A' ' 24' ' ' ARG . 42.6 m-20 -81.85 -17.37 47.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 28.0 mtp85 -74.14 -40.09 62.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 133' ' ' ILE . 14.1 m -103.82 19.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -80.24 133.45 36.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.2 mt -87.15 157.26 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 48.0 t -133.09 138.24 46.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 8.1 ttp85 -37.8 -45.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.47 -64.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.59 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 7.1 mtmt -47.79 -43.55 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' CYS . 74.5 mt -62.41 -47.26 84.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -23.95 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -50.68 5.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.571 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.56 -17.51 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t -66.51 -16.14 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -108.01 7.82 28.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -107.71 159.99 28.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -81.29 47.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -82.78 -71.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -52.44 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -55.48 -49.06 73.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.7 m -69.39 -71.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 4.8 m -35.77 -38.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.4 m -64.15 109.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.31 -18.87 13.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -80.62 176.98 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 34.5 m-85 -128.8 129.76 46.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 89' ' ' LEU . 34.2 m -122.88 152.12 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.34 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 98' ' ' PHE . 5.8 tp -99.18 155.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -118.85 75.41 0.3 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.5 HD11 ' CG1' ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.576 0.81 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.5 ' CG1' HD11 ' A' ' 52' ' ' ILE . 18.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 27.9 m-85 -140.78 154.64 46.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 61' ' ' TYR . 1.8 mmm-85 -135.29 153.73 51.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.546 HG21 ' CE1' ' A' ' 108' ' ' PHE . 97.1 t -107.1 121.82 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -126.2 160.53 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 25.3 tt0 -116.78 125.82 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.431 HD12 ' CG1' ' A' ' 48' ' ' VAL . 41.1 mt -62.92 123.31 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 p -104.4 -11.81 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.58 -169.51 42.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.31 123.12 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 86' ' ' GLY . 25.7 m -98.89 -179.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.2 pt-20 -134.48 118.63 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -89.5 -176.26 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.07 -28.39 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -93.9 150.57 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 31.1 t -117.56 149.99 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.533 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 41.5 p90 -142.0 158.81 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.23 148.81 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 81' ' ' THR . 14.2 tp -151.54 88.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.45 21.55 70.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.95 -41.52 2.08 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 14.4 t -84.45 145.17 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mtm-85 -102.21 113.0 25.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.42 HG21 ' CE1' ' A' ' 76' ' ' TYR . 14.1 t -113.23 168.92 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.474 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 14.2 p-10 -146.32 32.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -101.93 123.5 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.447 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -91.91 105.01 3.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.04 115.63 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -77.81 96.52 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 48' ' ' VAL . 12.2 mt -97.91 160.07 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -139.66 125.6 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' ASP . 85.2 t60 -107.24 90.51 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.31 -110.56 3.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -106.24 21.8 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -130.71 130.35 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 21.5 tt0 -95.41 158.92 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtt180 -152.85 -179.51 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -149.68 106.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 50' ' ' ILE . 91.4 m-85 -110.83 -170.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 3.0 mmt85 -118.99 163.73 16.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -64.67 -36.08 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.9 pt-20 -54.87 -38.68 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.6 m-30 -80.72 -29.78 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 104' ' ' SER . 13.2 t -55.49 103.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -54.51 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -146.01 -45.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.2 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.459 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.3 mt-10 -64.94 170.34 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.546 ' CE1' HG21 ' A' ' 63' ' ' VAL . 2.1 m-85 -84.55 109.44 17.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.0 p -62.51 133.72 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -40.1 -36.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.6 m -68.74 -69.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -38.11 -62.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -44.01 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.423 ' HE3' ' NZ ' ' A' ' 117' ' ' LYS . 3.5 mmt -48.28 -46.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -50.08 -43.89 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 3.0 t90 -66.98 -48.98 66.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.446 ' CG ' HD23 ' A' ' 127' ' ' LEU . 6.0 mtpt -43.96 -45.96 8.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.39 -53.14 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.76 -44.43 63.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 33.1 mmm -66.88 -41.75 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.31 -36.4 76.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -37.93 63.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.97 1.54 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.29 30.26 61.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.79 178.63 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.6 mm-40 -116.98 150.33 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.604 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -96.52 -173.42 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 131.3 14.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -76.44 138.18 40.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.546 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 1.9 mm? -38.58 -41.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.3 -54.17 47.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.6 mt-10 -56.19 -35.38 67.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.495 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 1.8 mm -62.06 -59.69 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.05 -56.62 18.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -48.64 -48.64 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 12.1 tppt? -64.42 -45.84 85.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.2 tt0 -44.86 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.1 -52.77 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.87 -44.1 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.8 mp -65.35 -57.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -42.23 -59.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 129' ' ' THR . 4.6 pt20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.497 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 159.7 40.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 133' ' ' ILE . 3.6 m -36.92 114.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -32.1 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.66 170.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.544 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -12.71 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -64.76 -59.62 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 43.1 mm-40 -42.93 -47.56 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' A' ' 47' ' ' PHE . 11.5 tp -63.55 -39.35 94.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.1 m-20 -60.48 -28.06 68.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 13.6 mtp85 -64.36 -49.38 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.07 25.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 22.9 ttp85 -84.93 82.37 8.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.57 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 7.1 mt -41.21 161.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ARG . 78.6 p -131.15 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -36.75 -49.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -61.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 5.9 mtmm -47.95 -46.6 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.481 ' CD2' HD13 ' A' ' 25' ' ' LEU . 15.6 mt -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -27.2 67.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.8 mtt180 -90.69 -49.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 12.1 m0 -67.86 -16.64 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.58 -15.68 61.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 3.5 p-80 -110.55 4.71 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.481 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.1 mmm -99.29 160.52 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.766 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -80.75 47.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -81.01 -73.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.15 -47.09 62.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -48.98 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.514 HG22 ' CZ3' ' A' ' 33' ' ' TRP . 52.2 m -69.3 -72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 6.5 m -36.36 -37.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -61.67 105.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.47 -21.39 7.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.78 167.2 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.605 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.8 m-85 -116.05 148.16 40.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 66' ' ' ILE . 28.0 m -129.88 150.2 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -94.36 107.48 19.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -100.52 153.68 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.19 105.06 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.493 ' CD1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' A' ' 52' ' ' ILE . 14.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 40.1 m-85 -151.34 157.38 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.564 ' HD2' ' CE1' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -135.99 122.71 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 70.5 t -77.46 133.04 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -143.61 164.76 29.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 3.7 tt0 -120.33 133.83 55.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 43' ' ' VAL . 35.0 mt -67.55 106.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 p -93.62 7.35 45.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.8 -176.79 29.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 53.4 t -128.24 124.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 m -99.4 -177.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 6.4 pt-20 -141.73 124.8 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -99.13 168.93 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.95 -33.82 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.7 tptm -95.1 148.5 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 22.5 t -110.57 144.6 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 30.0 p90 -126.78 156.35 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -70.03 145.79 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' THR . 15.6 tp -146.99 92.95 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.37 15.03 60.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.86 -37.72 3.01 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LEU . 13.8 t -84.82 144.29 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -95.65 113.1 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.468 HG23 ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -112.81 167.76 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.458 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 6.2 p-10 -140.23 14.07 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -101.19 103.52 14.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.68 144.52 24.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 30' ' ' LEU . 15.0 mt -86.38 122.73 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.36 95.69 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.5 mt -98.64 141.55 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -126.36 116.56 21.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 62' ' ' ARG . 80.5 t60 -100.61 93.61 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.495 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 76.34 -126.97 8.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.07 14.61 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.76 134.64 54.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 35.2 tt0 -99.14 156.57 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' LEU . 37.2 mtt85 -151.8 -178.9 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.5 t -150.85 109.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 50' ' ' ILE . 69.0 m-85 -113.0 155.05 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 17.1 mtt180 -79.14 160.49 26.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.8 mp -68.33 -37.7 80.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 9.9 pt-20 -53.92 -29.03 40.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-30 -82.8 -30.66 28.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.85 115.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.42 174.7 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -114.18 -37.1 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.58 167.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' HA ' ' CD ' ' A' ' 24' ' ' ARG . 2.0 mt-10 -94.65 160.08 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -65.9 158.47 27.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 t -130.35 146.7 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -39.44 -53.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 m -43.19 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -46.4 -63.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.544 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.8 t80 -36.22 -52.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.55 -44.46 78.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -59.02 -42.12 89.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 5.1 t90 -68.65 -47.61 66.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.007 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' CG ' HD22 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -46.39 -43.31 16.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.71 -50.43 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.07 -36.59 63.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.486 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 23.5 mmm -74.78 -38.95 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.85 -32.58 67.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -73.89 -43.69 57.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.53 2.6 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 55.43 39.12 72.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.12 -174.0 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.486 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.9 mt-30 -126.44 149.04 49.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.623 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -92.23 -172.42 0.32 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.99 131.32 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -74.57 134.24 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 3.5 mm? -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.99 -56.52 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' THR . 48.9 mm-40 -53.24 -39.83 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.4 mm -55.7 -60.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.45 -53.64 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -48.5 -47.85 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -65.21 -57.98 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.1 tp10 -41.12 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.3 -37.18 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -64.39 -42.68 96.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.0 mp -58.33 -45.76 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -57.57 12.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.45 ' NE2' ' HG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.98 100.89 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.7 m 23.23 88.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.45 ' HG ' ' NE2' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -59.31 -28.83 67.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.83 170.88 9.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.0 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.2 -55.75 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.07 -44.02 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 47' ' ' PHE . 7.6 tp -65.41 -31.2 72.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.78 -25.2 62.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.3 mtp-105 -64.74 -46.49 82.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.31 23.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -78.85 104.4 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 43' ' ' VAL . 13.6 mt -66.5 164.15 17.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 p -133.17 138.03 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.0 ttp180 -39.26 -53.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 9.9 m80 -48.78 -64.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -43.65 -43.25 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 22.8 mt -66.14 -41.3 90.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -61.54 -26.55 68.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -91.26 -49.93 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.53 ' CZ3' HG22 ' A' ' 42' ' ' THR . 11.0 m0 -67.49 -16.98 64.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.75 -17.58 61.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 22.7 t60 -108.83 5.54 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.463 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 17.6 mmm -97.23 160.78 28.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -51.7 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.405 ' O ' ' OG1' ' A' ' 42' ' ' THR . 19.0 p90 -83.02 45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 58.4 t80 -74.54 -64.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -60.3 -45.04 94.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.26 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.53 HG22 ' CZ3' ' A' ' 33' ' ' TRP . 69.1 m -67.02 -72.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 33.1 m -36.96 -33.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.3 m -66.68 118.47 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.38 11.06 28.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.5 m -117.32 -172.74 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.1 m-85 -140.68 139.77 34.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.63 153.17 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.26 110.97 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 98' ' ' PHE . 4.5 tp -100.15 151.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.57 87.55 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 52' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -154.5 141.63 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -131.98 139.8 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 46.4 t -67.95 144.41 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -146.1 123.66 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 33.9 tt0 -86.08 130.01 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.23 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.16 122.92 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -107.48 -14.2 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.94 -170.57 43.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 54.6 t -130.99 129.14 63.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.2 m -100.78 -177.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.7 pt-20 -141.89 119.77 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.7 p -89.25 170.33 10.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.28 -34.94 20.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.34 148.72 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 37.1 t -108.1 148.89 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 31.4 p90 -132.09 157.49 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.44 143.9 49.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' THR . 20.3 tp -141.94 85.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.06 15.63 69.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.9 -40.95 1.84 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 78' ' ' LEU . 14.7 t -84.53 146.13 27.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.2 mtt180 -100.41 112.34 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.6 t -114.0 167.43 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 7.7 p-10 -143.87 42.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -129.12 92.76 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.92 151.82 49.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD1' HD12 ' A' ' 30' ' ' LEU . 13.7 mt -88.74 119.98 29.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -77.85 95.62 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 22.8 mt -100.04 136.1 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -110.46 116.14 30.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -102.87 123.36 46.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.484 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.21 -105.82 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -116.09 -8.92 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 166.37 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.04 156.54 26.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -141.52 -178.18 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 96' ' ' ARG . 18.0 t -157.33 110.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.561 ' CD2' HG12 ' A' ' 50' ' ' ILE . 87.6 m-85 -115.72 158.37 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 14.8 mtt-85 -82.47 162.96 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.4 mp -70.99 -19.33 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.6 pt-20 -74.58 -12.81 60.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.512 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-85 -110.96 17.57 20.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.12 98.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -67.15 171.31 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 104' ' ' SER . 6.4 m-20 -133.86 67.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -129.11 175.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.72 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.34 145.58 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.8 t -107.82 136.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -38.22 -40.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 63' ' ' VAL . 5.1 pt-20 -48.19 -44.84 33.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.0 t80 -53.68 -48.6 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 mmt -72.71 -37.27 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 t90 -69.82 -45.38 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' CG ' HD21 ' A' ' 127' ' ' LEU . 1.3 mtpp -48.81 -45.65 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.47 74.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.477 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -66.42 -38.93 88.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.18 -37.32 72.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -37.84 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.76 32.18 78.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.484 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.64 -171.11 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.477 ' O ' ' CE ' ' A' ' 120' ' ' MET . 67.1 mt-30 -127.29 146.06 50.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.585 ' HB3' ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -91.32 -175.38 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.585 ' CD ' ' HB3' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 126.67 10.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.5 p -72.85 135.88 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mt -41.23 -40.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -60.39 -43.47 96.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mm -52.72 -56.81 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.6 -64.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -44.2 -57.61 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -49.23 -63.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.7 tp10 -38.4 -57.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.27 -43.74 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -56.24 -42.15 76.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.2 mp -61.34 -56.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -63.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.604 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.2 m 22.43 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -56.5 -30.82 63.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 ' CD1' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -137.91 174.01 4.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.94 -6.26 17.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -71.0 -58.93 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' CD1' ' A' ' 16' ' ' LEU . 1.7 mt-10 -46.73 -46.78 20.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 47' ' ' PHE . 10.1 tp -62.3 -27.25 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.0 m-20 -82.01 -25.01 35.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.6 mtp180 -68.65 -8.11 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 133' ' ' ILE . 16.7 m -134.56 30.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 23.2 ptt180 -86.18 111.71 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.581 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 4.8 mt -67.65 151.46 47.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ARG . 1.7 p -123.62 131.7 53.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 10.5 ttp-105 -35.32 -46.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -51.85 -61.55 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 8.7 mtmt -51.88 -41.02 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 68.8 mt -63.95 -44.68 92.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -30.52 70.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -85.53 -50.91 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.581 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 8.7 m0 -66.9 -16.74 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -65.64 -17.63 64.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 3.4 p80 -107.79 9.74 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.495 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -105.98 160.1 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -81.46 47.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -79.95 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -49.38 -46.31 47.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -48.66 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.523 HG21 ' CZ3' ' A' ' 33' ' ' TRP . 93.1 m -69.69 -72.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 4.9 m -37.03 -35.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.7 m -63.34 106.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.62 -18.91 9.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.3 m -82.88 168.15 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 30.7 m-85 -122.94 130.34 52.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 89' ' ' LEU . 19.9 m -123.36 147.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 110.86 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.571 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.8 tp -101.02 150.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.71 121.13 5.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.473 HG23 ' CD1' ' A' ' 52' ' ' ILE . 1.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.07 161.83 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 52' ' ' ILE . 10.5 mmt180 -142.17 126.34 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 108' ' ' PHE . 76.0 t -73.01 127.01 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -132.48 158.42 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 11.8 tt0 -122.69 124.29 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' A' ' 87' ' ' LEU . 29.0 mt -63.32 114.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -99.99 4.05 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.59 -173.32 33.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.44 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 79.7 t -131.79 123.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 86' ' ' GLY . 17.7 m -98.69 -177.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -137.88 117.19 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 p -91.28 -177.31 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.39 -28.74 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 156.4 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 14.9 t -120.59 149.69 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 32.1 p90 -136.15 161.1 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -79.41 152.18 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 25.5 tp -148.31 72.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.51 30.65 59.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.62 -41.35 2.25 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 7.4 t -83.45 141.69 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mmt85 -106.17 113.58 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.582 HG22 ' CE1' ' A' ' 76' ' ' TYR . 12.9 t -112.94 168.61 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.435 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 6.1 p-10 -137.84 25.93 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -98.72 117.5 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -89.82 110.13 3.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD2' HG22 ' A' ' 66' ' ' ILE . 6.1 mt -64.87 117.89 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 95.57 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 8.8 mt -99.93 129.22 45.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -108.98 134.03 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -124.34 132.8 53.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.57 -102.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -128.39 18.85 6.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.54 143.88 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.71 154.01 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.528 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 5.5 mtt-85 -144.41 176.29 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.88 105.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 50' ' ' ILE . 77.3 m-85 -111.21 164.01 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.24 145.89 25.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.1 mp -52.15 -33.36 39.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 5.8 pt-20 -56.5 -33.26 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.4 m-30 -85.69 -21.1 28.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.51 101.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.7 m -78.6 158.64 28.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -118.66 69.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.06 172.3 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.39 139.2 30.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.504 ' CD1' HG23 ' A' ' 63' ' ' VAL . 22.6 m-85 -67.16 127.65 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' GLU . 3.5 t -92.45 145.53 24.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 30.8 tt0 -36.57 -58.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -43.03 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -42.4 -63.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 21.1 t80 -36.89 -63.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -60.46 -41.39 94.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.72 -41.7 87.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 4.0 t90 -70.24 -45.17 67.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.44 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -48.33 -44.82 34.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -44.25 -50.48 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.66 75.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -67.22 -40.17 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.07 -38.32 85.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -38.87 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.028 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.96 41.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.38 62.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -170.58 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.481 ' O ' ' CE ' ' A' ' 120' ' ' MET . 2.7 mm-40 -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.593 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.3 OUTLIER -90.45 -177.9 0.86 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -74.99 133.77 17.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.32 138.46 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.5 mt -43.97 -37.96 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.23 -44.1 97.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.5 mt-10 -68.3 -42.19 79.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.476 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -54.97 -48.46 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.56 -59.87 3.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -47.85 -51.12 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.2 tppt? -57.33 -61.15 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.2 tp10 -42.7 -55.83 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.81 -36.54 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.68 -39.17 93.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.0 mp -62.51 -45.62 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -63.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.613 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.97 106.91 2.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.22 90.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -58.6 -30.11 66.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.54 171.31 8.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 71.7 mm-40 -67.52 -51.82 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 51.8 mm-40 -52.81 -37.77 60.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -73.42 -19.98 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.534 ' OD1' ' CD2' ' A' ' 108' ' ' PHE . 19.8 m-20 -85.4 -16.9 38.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 9.1 mtp-105 -69.5 -49.62 52.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 133' ' ' ILE . 36.0 m -91.69 26.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.457 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.9 ttm-85 -81.14 103.69 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.589 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -67.19 155.62 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' ARG . 34.6 p -124.97 138.6 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -37.1 -56.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 94.3 m-70 -45.99 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -43.09 -48.7 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 34' ' ' CYS . 16.0 mt -59.16 -64.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -35.43 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -82.33 -51.65 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.589 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.5 m0 -68.05 -14.2 62.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.617 ' SG ' ' CZ ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -67.41 -10.13 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.66 4.17 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.454 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 37.1 mmm -97.75 160.63 28.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -84.26 45.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CZ ' ' SG ' ' A' ' 34' ' ' CYS . 12.8 t80 -79.1 -72.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -49.2 -53.67 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -56.17 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.567 HG21 ' CZ3' ' A' ' 33' ' ' TRP . 79.4 m -62.57 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.566 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.2 m -35.85 -43.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.8 m -54.59 106.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -25.26 7.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.6 m -76.89 169.37 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 21.0 m-85 -124.91 138.47 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.75 144.89 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -84.18 113.46 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.564 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -101.03 151.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.61 107.58 1.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.505 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.505 HG23 ' CD1' ' A' ' 52' ' ' ILE . 12.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.26 140.22 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -123.52 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.24 133.27 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -139.32 154.45 47.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -123.12 133.23 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 ' CG2' HG23 ' A' ' 43' ' ' VAL . 44.1 mt -66.13 109.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -95.75 4.31 53.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.82 -164.71 32.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 52.2 t -142.28 122.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.733 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.78 -175.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.6 pt-20 -136.9 121.58 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 77.4 p -93.33 -179.77 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.66 -28.86 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -90.33 149.56 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 9.5 t -114.22 147.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 28.1 p90 -140.87 154.67 46.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 19.1 tt0 -70.91 147.94 48.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 100' ' ' LEU . 8.2 tp -154.66 86.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.43 82.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.03 -40.83 2.29 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' LEU . 13.5 t -83.82 144.85 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mtt180 -110.15 111.38 22.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.0 t -114.27 141.3 47.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.403 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 2.1 p-10 -107.15 22.41 16.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 69' ' ' VAL . 2.0 mttp -88.23 162.87 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.26 121.6 2.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 mt -76.7 118.11 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.2 101.19 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 10.1 mt -109.99 125.7 53.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -111.34 135.3 52.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -117.99 92.3 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.493 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 81.53 -120.93 5.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -102.16 22.13 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 126.46 31.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -91.9 153.57 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.1 mtt-85 -143.15 179.98 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.1 t -153.16 107.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.0 m-85 -109.47 -170.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 49.3 mmt-85 -117.54 163.03 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 78' ' ' LEU . 4.7 mp -65.53 -37.58 87.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 10.9 pt-20 -55.55 -27.34 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.492 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.2 m-85 -102.79 14.68 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.45 96.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -91.84 157.06 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' GLN . 15.1 m-20 -91.53 -66.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER 37.29 -154.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.4 pt-20 -132.2 152.35 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.1 m-85 -84.08 100.03 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' GLU . 9.8 t -71.04 136.58 48.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' THR . 18.9 tt0 -36.44 -49.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -45.71 -72.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -44.07 -64.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 30.1 t80 -37.66 -46.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.92 -38.87 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 3.6 mmmt -63.21 -40.07 96.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 3.8 t90 -70.38 -45.51 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' HD21 ' A' ' 127' ' ' LEU . 1.3 mtpp -47.39 -46.28 25.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -42.97 -51.62 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.97 -44.54 70.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 127' ' ' LEU . 28.5 mmm -67.58 -41.32 84.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.88 -34.86 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -39.07 63.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.75 4.64 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.91 37.24 57.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.9 -173.9 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.435 ' O ' ' CE ' ' A' ' 120' ' ' MET . 13.3 pt20 -126.39 145.2 50.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -92.12 -178.3 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 130.51 13.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.0 p -81.29 138.97 35.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -40.82 -30.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -67.59 -52.41 38.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -60.88 -42.34 97.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 23' ' ' VAL . 1.2 mm -53.96 -54.32 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -62.32 -59.64 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 10.9 pttt -47.15 -50.41 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.4 tppt? -57.43 -61.35 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.0 tp10 -43.5 -56.78 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -44.89 -32.17 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -68.58 -42.32 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.2 mp -60.74 -50.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -66.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 156.64 42.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 128' ' ' PRO . 11.2 m -45.89 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.455 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -81.02 -22.98 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -130.96 167.53 21.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.01 -8.56 20.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.8 mt-10 -68.18 -61.83 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 16' ' ' LEU . 80.2 mm-40 -48.44 -41.31 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD13 ' CG ' ' A' ' 47' ' ' PHE . 9.0 tp -68.54 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' GLU . 6.3 m-20 -79.11 -13.77 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -78.9 -6.34 55.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 133' ' ' ILE . 3.1 m -132.01 17.81 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.1 ptt85 -73.69 116.56 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 7.2 mt -76.82 156.03 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ARG . 84.5 p -119.66 134.7 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' CZ ' ' CB ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -37.83 -55.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -46.84 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 16.1 mttp -42.8 -43.75 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' CYS . 30.4 mt -62.81 -50.76 69.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 1.5 tt0 -56.94 -37.15 71.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -50.71 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 10.5 m0 -67.72 -15.81 63.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -64.99 -11.85 43.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 108.281 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -114.17 5.43 15.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.481 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.1 mmm -100.72 160.38 26.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.422 ' O ' ' OG1' ' A' ' 42' ' ' THR . 19.7 p90 -81.54 47.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 34' ' ' CYS . 10.9 t80 -82.76 -72.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -47.37 -55.06 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -55.92 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.493 HG23 ' CZ3' ' A' ' 33' ' ' TRP . 64.3 m -59.23 -74.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.525 HG11 ' CD1' ' A' ' 39' ' ' PHE . 13.8 m -39.28 -40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.536 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 8.4 m -58.94 106.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.29 -10.37 9.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.7 m -94.07 170.36 9.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 30.5 m-85 -123.44 128.13 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 32.8 m -120.14 153.01 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.32 111.59 23.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.556 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -100.44 150.22 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.23 105.33 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.51 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.51 ' CG1' HG12 ' A' ' 52' ' ' ILE . 9.4 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -153.02 142.93 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.501 ' CG ' ' CD1' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -127.05 127.82 45.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' CE1' ' A' ' 108' ' ' PHE . 71.7 t -67.62 129.11 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -139.72 148.63 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 20.0 tt0 -113.66 131.73 56.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 38.7 mt -63.07 116.44 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -96.31 -8.42 32.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.33 -171.95 39.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 55.6 t -130.5 121.06 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 97' ' ' VAL . 21.3 m -98.33 -176.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.2 pt-20 -137.54 118.11 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.5 p -88.62 171.96 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.91 -32.83 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.82 157.21 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG11 ' CD ' ' A' ' 82' ' ' ARG . 26.6 t -117.56 147.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 36.3 p90 -133.57 157.72 44.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.6 155.04 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 31' ' ' GLU . 9.0 tp -159.08 90.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.99 13.03 63.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 -34.61 3.99 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 1.7 t -84.22 151.7 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' CD ' HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -107.41 113.28 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.574 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.1 t -111.82 165.31 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.429 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 2.4 p-10 -135.99 11.6 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -93.48 129.08 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.21 116.54 5.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.09 112.28 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.443 ' HA ' ' CB ' ' A' ' 97' ' ' VAL . 2.2 tt0 -77.26 110.2 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 96' ' ' ARG . 10.1 mt -118.73 140.64 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.17 156.88 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -134.87 99.86 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.53 -120.89 16.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -93.67 19.11 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.06 168.11 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.13 149.28 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 15.0 mtt85 -153.08 -179.84 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 70' ' ' VAL . 2.8 p -164.51 107.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 16.2 m-85 -103.71 -167.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.489 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 6.7 mtt180 -108.61 168.5 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 5.6 mp -66.48 -35.46 80.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.7 pt-20 -57.73 -39.8 78.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.0 m-30 -79.68 -17.77 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 30' ' ' LEU . 20.4 t -72.85 127.27 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.4 m -103.12 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -132.0 76.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.98 167.51 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.22 119.22 21.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 63' ' ' VAL . 7.7 m-85 -49.02 122.88 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.3 t -83.75 158.35 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.34 -58.69 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -47.49 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 38.2 t80 -34.74 -58.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.91 -42.84 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 112' ' ' GLU . 36.8 mmtt -55.68 -38.85 70.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.74 -45.24 68.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.453 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -50.39 -42.45 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -45.85 -53.02 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.15 -40.59 67.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 30.4 mmm -71.28 -37.8 71.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 117' ' ' LYS . 3.9 m-85 -70.34 -33.71 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -77.86 -45.06 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.411 ' HB2' ' SD ' ' A' ' 125' ' ' MET . . . -72.21 -10.83 60.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.72 8.54 72.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 123' ' ' ALA . 27.0 mtp -77.32 149.97 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.0 pt20 -90.84 157.63 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.617 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -96.27 -172.78 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.02 130.2 13.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.0 OUTLIER -80.46 138.68 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.5 mm? -41.46 -30.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -51.86 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.3 mt-10 -62.65 -41.36 99.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.453 HD13 ' CG2' ' A' ' 23' ' ' VAL . 1.1 mm -57.56 -52.75 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.82 -59.74 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -48.81 -49.9 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.6 tppt? -56.69 -58.92 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.0 OUTLIER -40.43 -61.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.99 -45.98 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -43.76 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.5 mp -59.85 -54.6 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.13 -64.99 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.06 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.3 m 24.04 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -33.54 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.92 173.49 5.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.02 -8.5 20.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.5 mt-10 -70.02 -53.89 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 57.9 mm-40 -50.08 -35.52 25.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.75 -24.15 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.7 m-20 -79.61 -19.39 49.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.08 -34.01 65.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 133' ' ' ILE . 20.3 m -111.04 19.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 28.3 ttp85 -81.18 99.32 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.567 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.1 mt -53.43 158.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' ARG . 95.5 p -129.4 128.7 43.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 3.7 ttp-105 -35.83 -38.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 14.1 m170 -63.03 -58.95 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 8.1 mtmm -51.67 -39.22 57.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' CYS . 20.5 mt -64.59 -55.82 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.41 -23.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 28' ' ' HIS . 1.9 mtt-85 -92.0 -50.71 5.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.567 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 7.7 m0 -68.87 -9.55 52.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -59.65 -16.31 25.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -18.34 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 9.1 mmt -56.4 152.77 22.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.1 p90 -83.75 12.72 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD2' ' HE3' ' A' ' 85' ' ' LYS . 38.9 t80 -35.39 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -46.31 -46.22 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -54.0 -49.93 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 43' ' ' VAL . 20.3 m -67.65 -71.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 5.3 m -37.44 -35.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -66.58 111.04 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.82 -6.41 24.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 m -93.13 -177.09 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 38.2 m-85 -135.12 135.56 41.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m -134.06 155.23 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 120.12 30.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.458 HD13 ' CB ' ' A' ' 98' ' ' PHE . 5.9 tp -101.77 154.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.67 85.3 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 60' ' ' VAL . 38.7 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.43 0.724 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 52' ' ' ILE . 11.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.17 137.7 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.422 ' HG3' ' CG2' ' A' ' 52' ' ' ILE . 2.8 mtt180 -135.41 126.95 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.575 ' CG2' ' CE1' ' A' ' 108' ' ' PHE . 91.3 t -58.78 143.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -144.07 152.17 40.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.85 128.78 56.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.6 mt -73.29 110.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 18.2 p -90.99 -9.17 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.31 -165.06 38.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.1 124.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.5 m -98.54 -177.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.4 pt-20 -134.57 116.49 15.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -84.22 166.86 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.57 -42.17 18.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -110.09 139.8 44.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -87.51 153.12 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 10.0 p90 -120.8 173.87 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -83.67 135.85 34.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 100' ' ' LEU . 31.3 tp -127.0 59.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.75 -30.56 4.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.95 -44.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -84.92 144.58 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -103.27 111.3 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 76' ' ' TYR . 10.2 t -117.4 143.67 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.513 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.3 p-10 -105.63 32.18 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -101.02 145.68 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.19 116.92 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.9 115.33 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 95.54 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 5.2 mt -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 4.2 ttt85 -121.12 155.42 34.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -149.95 115.5 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 63.56 -105.2 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -124.8 10.61 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.57 155.11 28.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 96' ' ' ARG . 9.3 tt0 -108.18 155.16 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 42.4 mtt85 -143.08 175.53 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 t -147.26 105.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 85.6 m-85 -110.47 -171.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 4.9 mmt85 -121.86 160.66 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 78' ' ' LEU . 9.1 mp -61.06 -33.18 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.0 pt-20 -61.61 -24.48 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.23 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.7 m-30 -98.72 -1.97 39.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.0 t -86.27 91.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 163.78 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 106' ' ' GLN . 11.2 p30 -112.86 -160.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 11.8 tt0 78.36 166.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 2.3 mt-10 -78.37 142.48 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CE1' ' CG2' ' A' ' 63' ' ' VAL . 3.1 m-85 -49.9 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.2 p -125.72 137.15 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -47.76 -29.25 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t -73.26 -69.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.44 -46.55 3.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.5 t80 -50.94 -49.34 60.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.4 mmt -71.83 -40.45 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 t90 -67.91 -46.69 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.28 -48.28 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -40.88 -52.44 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.59 -42.99 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 27.2 mmm -69.18 -40.12 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.29 -33.04 74.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -77.25 -42.91 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.78 -3.16 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.29 28.59 67.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -87.26 -172.16 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CE ' ' A' ' 120' ' ' MET . 5.7 mm-40 -126.77 148.49 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.576 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -92.04 -177.54 0.75 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.99 -29.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -68.69 -52.06 34.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.0 mm-40 -62.16 -38.55 89.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.492 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -59.76 -49.96 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.25 -60.28 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -49.07 -49.41 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.7 tppt? -59.84 -53.21 60.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 140' ' ' ILE . 36.7 tt0 -43.36 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -42.82 -46.61 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -41.34 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.5 mp -66.56 -49.78 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.02 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.92 110.38 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 19.66 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -32.93 63.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.44 173.05 6.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -8.92 20.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.4 mt-10 -68.79 -62.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 56.7 mm-40 -42.11 -45.76 4.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD2' ' CZ3' ' A' ' 116' ' ' TRP . 6.5 tp -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.2 m-20 -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -63.92 -29.77 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.416 ' CG1' ' HG2' ' A' ' 137' ' ' GLU . 25.3 m -115.65 28.58 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.41 103.35 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.564 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 9.3 mt -55.56 163.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 68.8 m -139.19 139.72 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 6.8 ttp85 -36.94 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 17.2 mttp -44.89 -36.92 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 91.1 mt -70.75 -46.09 63.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -25.15 66.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.84 -51.07 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.564 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 10.8 m0 -67.8 -16.42 64.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.46 -16.45 63.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -108.99 4.81 23.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.471 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.0 mmm -101.04 159.32 29.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -83.08 45.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 33' ' ' TRP . 58.9 t80 -79.74 -69.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -54.83 -45.23 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -49.1 73.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' THR . 45.6 m -69.43 -71.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 7.6 m -36.4 -34.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.2 m -68.05 108.69 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.84 -11.78 17.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.409 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.8 m -96.37 156.84 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.6 m-85 -98.74 156.06 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 17.0 m -145.3 146.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 113.66 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.577 HG12 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -101.23 150.06 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.01 105.54 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.494 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' HG12 ' A' ' 52' ' ' ILE . 12.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -153.55 151.81 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -133.93 123.53 24.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.578 HG23 ' CE1' ' A' ' 108' ' ' PHE . 49.5 t -80.91 128.83 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -137.41 152.94 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.46 126.55 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.18 131.14 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 p -112.58 0.44 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.2 -171.19 35.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.5 t -134.02 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 m -99.32 -176.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.3 pt-20 -136.32 119.06 16.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -92.72 -172.03 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.28 -29.07 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -94.81 149.01 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.527 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 23.7 t -118.3 151.27 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 29.2 p90 -141.38 157.79 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 39.7 tt0 -69.97 151.55 45.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -152.71 92.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 62.66 16.39 55.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.91 -41.85 1.78 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.6 t -83.83 144.77 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mmm-85 -102.44 113.16 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -113.08 167.98 10.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 4.6 p-10 -140.13 14.77 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -84.62 123.0 29.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.26 106.63 3.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.98 115.15 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.41 96.01 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 48' ' ' VAL . 6.3 mt -95.48 157.43 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.4 115.63 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' ASP . 48.2 t60 -100.68 106.15 17.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.579 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.67 -123.06 32.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.83 21.54 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.4 OUTLIER -128.85 131.77 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.16 152.77 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.459 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 11.5 mtt180 -150.19 -179.19 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 71.6 t -153.67 109.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 50' ' ' ILE . 73.5 m-85 -113.13 -169.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 26.5 mtt180 -115.11 168.38 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.4 mp -67.07 -37.21 83.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.2 pt-20 -54.19 -42.53 69.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.6 m-85 -77.5 -23.85 50.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.49 94.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -111.49 -33.79 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -48.55 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.18 159.38 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 63' ' ' VAL . 8.0 m-85 -65.1 142.72 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.9 t -117.79 156.07 28.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 111' ' ' SER . 40.2 tt0 -43.54 -66.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -38.2 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.2 mm-40 -41.8 -65.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 31.9 t80 -38.05 -50.04 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.6 mmt -71.52 -36.69 71.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 112' ' ' GLU . 45.3 mmtt -62.41 -45.55 92.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.494 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -66.29 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.428 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -42.5 -48.0 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.48 -49.61 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.09 69.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 20.4 mmm -69.94 -40.33 75.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.46 -34.27 75.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -74.5 -42.18 59.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.11 -2.14 39.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.68 38.89 94.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.77 -173.9 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.513 ' O ' ' CE ' ' A' ' 120' ' ' MET . 68.1 mt-30 -126.24 149.1 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -93.77 -175.86 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.01 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.5 p -71.76 140.87 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -43.04 -36.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -45.29 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -65.92 -38.76 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.556 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 1.3 mm -57.48 -70.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . 0.535 ' CA ' ' HG3' ' A' ' 137' ' ' GLU . 8.5 t-20 -36.13 -60.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -49.92 -44.26 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 133' ' ' ILE . 15.6 tppt? -63.16 -59.02 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 133' ' ' ILE . 3.3 mt-10 -33.58 -52.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -42.0 -62.63 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.8 t -40.01 -34.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 137' ' ' GLU . 4.8 mp -84.99 -51.92 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HD2' ' CB ' ' A' ' 137' ' ' GLU . 1.3 mttp -48.7 -42.33 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.504 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 2.1 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.0 Cg_endo -75.04 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 22.97 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -34.34 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.92 173.67 5.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.02 -17.92 19.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -61.98 -49.42 76.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 130' ' ' LEU . 34.6 mm-40 -50.75 -40.86 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.41 -21.44 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.1 m-20 -84.03 -10.14 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 11.2 mtp180 -87.16 1.14 53.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' ' 133' ' ' ILE . 8.4 m -147.85 20.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -81.46 82.58 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.2 mt -38.39 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' ARG . 32.3 t -127.59 134.47 49.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -37.32 -44.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -60.89 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -50.54 -44.32 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 25' ' ' LEU . 25.1 mt -61.46 -44.19 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -30.68 69.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.2 mtt180 -85.14 -49.68 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 12.9 m0 -68.01 -14.89 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.05 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -65.76 -18.07 65.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 4.4 p-80 -107.49 5.04 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 mmm -100.56 159.71 28.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -82.62 46.04 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CD2' ' HE3' ' A' ' 85' ' ' LYS . 57.1 t80 -79.05 -72.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -54.14 -45.43 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.23 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 136' ' ' LYS . 78.1 m -70.16 -72.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 5.0 m -35.51 -38.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.5 m -62.41 110.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.02 -4.03 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 1.6 m -95.23 179.55 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.7 m-85 -130.31 140.26 50.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.55 146.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -85.84 112.69 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.457 HG12 ' CG ' ' A' ' 98' ' ' PHE . 6.5 tp -102.33 148.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.58 103.27 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.528 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.528 ' CG1' HG12 ' A' ' 52' ' ' ILE . 7.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 49' ' ' ARG . 26.6 m-85 -149.72 149.56 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.42 ' CG ' ' CD1' ' A' ' 52' ' ' ILE . 7.2 mmp_? -132.98 124.32 27.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.521 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 38.3 t -64.09 126.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -131.46 149.95 52.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 12.9 tt0 -109.93 130.13 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 4.4 mt -64.68 130.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' ' 90' ' ' ARG . 6.9 p -113.33 -15.02 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.96 -169.23 41.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 73.0 t -133.97 121.09 37.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.63 174.69 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.87 149.59 41.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -124.47 179.23 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.23 -29.91 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 17.6 t -116.16 148.22 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE2' ' CD ' ' A' ' 99' ' ' ARG . 37.5 p90 -137.29 162.16 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -77.07 148.05 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' THR . 21.0 tp -147.05 78.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.37 23.03 78.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.58 -41.27 2.11 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.4 t -84.13 144.39 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.4 mtt180 -104.95 112.8 26.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.413 HG22 ' CE1' ' A' ' 76' ' ' TYR . 9.8 t -114.37 154.51 27.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 4.7 p-10 -129.25 36.47 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 25.5 mtmm -111.08 124.99 53.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.18 117.67 5.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.13 111.95 10.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.486 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 2.1 tt0 -75.84 111.09 10.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.6 mt -115.53 124.29 50.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.408 ' CB ' HG23 ' A' ' 67' ' ' THR . 23.0 ttp180 -115.3 126.98 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.495 ' NE2' ' CB ' ' A' ' 119' ' ' ALA . 19.9 t-160 -120.83 124.43 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 51.38 -133.58 34.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -90.68 19.83 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -127.34 124.78 39.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 149.57 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -159.06 -177.2 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HB ' ' HA ' ' A' ' 88' ' ' GLN . 3.5 p -163.93 125.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.457 ' CG ' HG12 ' A' ' 50' ' ' ILE . 19.4 m-85 -116.62 -164.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.5 mmp_? -106.43 158.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 8.7 mp -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 pt-20 -64.96 -25.56 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 18.8 m-30 -96.7 -5.96 37.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.439 HG13 ' CD1' ' A' ' 30' ' ' LEU . 18.8 t -78.62 111.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 49' ' ' ARG . 5.9 t -55.23 177.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -150.6 40.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -123.28 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.67 139.7 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.443 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.9 m-85 -62.03 120.02 10.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.44 148.98 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 42.3 tt0 -42.12 -62.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.5 m -38.19 -67.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 2.2 mm-40 -37.38 -62.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 12.9 t80 -42.36 -60.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 mmt -59.89 -59.96 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.06 -45.89 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.521 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 8.3 t90 -67.79 -50.71 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.418 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -44.71 -45.13 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.74 -52.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.495 ' CB ' ' NE2' ' A' ' 91' ' ' HIS . . . -52.59 -43.64 65.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.492 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 28.2 mmm -68.23 -41.02 81.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -67.87 -34.76 77.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -75.2 -42.63 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.52 -3.02 31.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.38 32.61 77.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.14 -175.0 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 111.007 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CE ' ' A' ' 120' ' ' MET . 63.1 mt-30 -123.48 148.7 45.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.597 ' HB3' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -90.95 -174.39 0.44 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.05 128.66 11.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' LEU . 0.9 OUTLIER -78.51 139.23 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 2.9 mm? -38.41 -39.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -56.7 -60.6 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 1.6 mt-10 -50.66 -45.42 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.401 HD11 ' CG2' ' A' ' 23' ' ' VAL . 1.2 mm -57.51 -55.66 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -55.84 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.8 -54.39 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 3.5 tppt? -53.55 -56.1 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.422 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 18.0 tt0 -40.0 -62.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -44.23 -52.95 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.54 -45.64 13.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.436 HD12 ' CD ' ' A' ' 136' ' ' LYS . 3.2 mp -62.77 -55.59 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.422 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.0 OUTLIER -44.93 -56.86 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -161.25 158.52 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -178.43 168.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.59 115.37 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.66 137.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -175.87 156.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.73 145.13 5.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 137.36 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 92.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 1.2 m -162.28 -173.01 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 1.5 tt0 -109.45 133.31 20.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.615 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.04 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.615 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.3 m 21.16 89.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -31.82 63.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 172.43 7.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.562 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.94 -8.63 20.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.0 mt-10 -71.71 -57.79 4.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 67.9 mm-40 -46.46 -41.49 14.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.15 -31.5 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' GLU . 4.2 m-20 -70.99 -26.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 46.2 mtp180 -63.51 -39.8 95.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG2' HD11 ' A' ' 133' ' ' ILE . 30.3 m -104.75 30.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 15.0 ttp85 -93.05 91.15 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.58 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 6.9 mt -41.29 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' NH2' ' A' ' 24' ' ' ARG . 80.3 p -135.92 138.4 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' SER . 13.8 ttp180 -38.8 -41.86 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.1 -68.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 10.5 mtmt -46.13 -38.45 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 34' ' ' CYS . 80.1 mt -67.04 -46.9 73.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -28.33 67.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -88.12 -50.15 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.582 ' CZ2' ' HD2' ' A' ' 29' ' ' LYS . 12.3 m0 -67.3 -16.94 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.13 -16.05 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.4 p80 -111.1 6.91 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 34.4 mmm -102.22 159.42 29.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.409 ' O ' ' OG1' ' A' ' 42' ' ' THR . 21.3 p90 -81.95 47.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -81.48 -72.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -52.54 -44.73 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -50.48 65.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.5 m -69.58 -72.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 4.3 m -35.32 -34.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 5.6 m -68.61 106.89 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.14 -11.92 12.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 56.5 m -88.31 -166.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.594 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 31.4 m-85 -143.99 140.23 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.433 ' CG1' HD12 ' A' ' 66' ' ' ILE . 20.7 m -129.45 159.79 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.621 ' NH2' ' CD2' ' A' ' 61' ' ' TYR . 1.4 ttt-85 -102.08 115.3 30.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.238 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.0 tp -100.68 144.06 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -105.37 77.46 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.505 HD13 ' CG1' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.98 -42.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' N ' HG12 ' A' ' 52' ' ' ILE . . . -160.39 -164.54 15.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 -56.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.89 -173.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . 4.8 m120 -112.19 90.41 3.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.1 m 162.56 -70.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.43 139.01 34.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' C ' ' CG2' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 171.98 17.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 ' CG1' HD13 ' A' ' 52' ' ' ILE . 1.5 t -148.4 134.99 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.621 ' CD2' ' NH2' ' A' ' 49' ' ' ARG . 57.6 m-85 -153.52 156.2 37.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.471 ' CG ' HG22 ' A' ' 52' ' ' ILE . 12.0 mmm180 -146.02 144.38 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.492 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 73.4 t -87.08 135.36 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -136.72 149.47 47.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.91 123.24 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.433 HD12 ' CG1' ' A' ' 48' ' ' VAL . 51.2 mt -64.51 122.42 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.3 p -101.93 -15.06 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.64 -169.36 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 79.1 t -132.69 124.7 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -98.7 -177.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.8 pt-20 -133.43 121.88 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -95.43 179.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.64 -31.08 10.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -94.89 144.85 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.504 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 39.1 t -107.21 150.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 33.1 p90 -136.44 159.03 43.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -75.76 152.08 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.4 tp -151.33 73.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.2 29.34 60.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.45 -39.47 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -84.37 146.42 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.504 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -109.18 112.67 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.465 HG21 ' CE1' ' A' ' 76' ' ' TYR . 13.2 t -113.7 167.01 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 9.7 p-10 -141.26 44.48 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -118.72 112.25 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.32 118.76 4.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -71.06 114.51 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -77.83 97.75 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 17.5 mt -100.12 159.8 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -135.77 116.81 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASP . 69.8 t60 -96.99 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 71.13 -112.32 4.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -105.44 14.11 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -122.79 135.33 54.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.99 165.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.482 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 2.7 mtt-85 -158.96 -178.34 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.7 t -153.81 103.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 50' ' ' ILE . 83.6 m-85 -108.08 -172.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 16.0 mmt-85 -116.13 161.33 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.7 mp -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 pt-20 -50.4 -38.97 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.3 m-30 -78.09 -30.57 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.403 HG11 ' CD1' ' A' ' 30' ' ' LEU . 9.9 t -59.71 96.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -147.25 64.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -130.71 161.72 31.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.16 127.87 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 8.5 m-85 -50.87 105.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.6 p -54.51 147.08 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -52.8 -25.45 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . 16.8 m -78.01 -65.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -38.93 -56.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.3 t80 -46.45 -52.89 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.16 -41.18 81.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -60.2 -46.19 90.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.492 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -66.77 -44.08 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 107.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.439 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -48.86 -42.28 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -45.89 -51.35 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.56 -39.35 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.448 ' HE3' ' CD2' ' A' ' 127' ' ' LEU . 28.9 mmm -73.4 -39.87 64.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.14 -28.84 63.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.6 t -76.51 -44.46 35.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.487 ' CB ' ' SD ' ' A' ' 125' ' ' MET . . . -78.0 -11.93 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.01 11.52 85.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 11.7 mtp -72.55 167.08 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.436 ' O ' ' CE ' ' A' ' 120' ' ' MET . 7.7 mt-30 -108.22 151.55 25.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.593 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -92.95 -174.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.0 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.1 p -80.17 139.34 36.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -42.35 -30.27 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.64 -50.33 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -63.19 -43.94 96.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.478 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.5 mm -51.21 -53.83 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.71 -62.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -44.24 -54.38 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.0 tppt? -56.46 -59.63 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 140' ' ' ILE . 6.8 tp10 -44.2 -54.8 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.37 -27.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -75.54 -39.96 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -60.21 -45.72 95.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.19 -63.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.75 -49.06 40.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.34 -59.61 2.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.53 108.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -131.96 122.63 3.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 17.8 t -158.88 160.4 36.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.5 m -88.27 -58.44 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -173.07 138.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 159.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.047 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.11 -178.23 30.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m 62.98 149.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -173.16 167.44 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.56 159.66 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 154.07 42.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -22.67 14.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 44.08 68.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 129' ' ' THR . 15.1 t -158.16 -179.42 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.475 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 1.5 tt0 -106.26 133.19 20.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.641 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.01 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.641 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.4 m 18.42 91.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -33.03 65.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -133.01 171.72 8.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.574 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.96 -20.51 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.05 -51.81 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.481 ' HG2' ' CD1' ' A' ' 16' ' ' LEU . 26.9 mm-40 -50.27 -41.0 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.0 tp -68.41 -25.12 64.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.9 -19.64 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -74.5 -33.71 62.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' CG2' HD12 ' A' ' 133' ' ' ILE . 5.0 m -106.13 9.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 106' ' ' GLN . 40.8 ttp85 -73.92 92.01 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 4.7 mt -44.47 152.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -120.2 130.82 54.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.973 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -37.56 -50.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.2 m-70 -51.4 -57.96 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 mtmt -52.05 -43.83 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 25' ' ' LEU . 60.1 mt -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -26.14 65.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -88.85 -50.63 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.5 m0 -68.05 -15.82 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.39 -17.45 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.301 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 34.9 t60 -109.59 4.75 22.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.473 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 18.3 mmm -97.71 160.04 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -83.79 45.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 33' ' ' TRP . 50.9 t80 -77.55 -69.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.459 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -62.52 -21.23 65.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -34.87 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' VAL . 87.1 m -89.68 -68.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 30' ' ' LEU . 15.5 m -35.94 -36.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.2 m -66.67 108.12 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.41 -19.89 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.475 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 58.6 m -89.79 164.98 14.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.593 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 26.7 m-85 -110.88 144.79 39.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.487 ' CG2' HD11 ' A' ' 89' ' ' LEU . 20.9 m -132.32 145.07 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -90.92 121.82 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.543 HG12 ' CD2' ' A' ' 98' ' ' PHE . 8.5 tp -100.58 141.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.84 81.08 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.489 HD13 ' CG1' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -43.97 -34.28 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 171.79 168.49 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -155.28 96.83 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 173.27 71.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -178.75 67.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.82 -66.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 165.31 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.489 ' CG1' HD13 ' A' ' 52' ' ' ILE . 1.4 t -141.75 112.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -131.35 158.9 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 0.2 OUTLIER -141.37 129.03 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG12 ' CZ ' ' A' ' 108' ' ' PHE . 46.6 t -78.79 144.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -154.56 162.5 41.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.7 tt0 -121.01 130.59 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.429 ' CD1' HG11 ' A' ' 48' ' ' VAL . 34.2 mt -66.9 113.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.5 p -99.21 4.02 46.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.16 -173.93 33.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 68.9 t -131.51 123.15 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.1 m -98.46 -179.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -131.74 117.57 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.3 p -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.61 -32.01 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -97.54 146.54 25.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 74' ' ' LYS . 22.7 t -108.58 146.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 20.0 p90 -137.0 158.3 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -69.98 152.19 44.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 81' ' ' THR . 14.4 tp -153.46 86.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.7 20.76 70.5 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.07 -39.14 2.75 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 78' ' ' LEU . 14.7 t -84.15 146.45 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.6 mtt85 -103.25 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.527 HG23 ' CE1' ' A' ' 76' ' ' TYR . 13.8 t -113.02 168.22 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.443 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 5.5 p-10 -140.53 16.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -93.87 128.89 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.65 117.6 5.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 30' ' ' LEU . 8.6 mt -65.45 118.03 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.48 96.18 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.487 HD11 ' CG2' ' A' ' 48' ' ' VAL . 12.1 mt -104.94 130.38 53.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -110.31 162.73 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.435 ' CE1' ' CB ' ' A' ' 119' ' ' ALA . 78.4 t60 -143.06 124.19 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.438 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 56.58 -96.0 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.17 18.81 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.61 153.2 37.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.72 129.23 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' LEU . 3.6 ttt180 -119.67 -177.43 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -149.26 130.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CD2' HG12 ' A' ' 50' ' ' ILE . 90.2 m-85 -131.82 -171.98 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 96.9 mtt180 -120.46 160.01 23.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -67.58 -28.54 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.567 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -64.63 -29.96 70.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.567 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.6 m-30 -86.93 -25.56 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.78 141.58 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -110.47 176.1 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -134.21 64.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.6 mp0 -116.63 177.92 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.54 113.36 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.465 ' CZ ' HG12 ' A' ' 63' ' ' VAL . 7.0 m-85 -40.89 134.74 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -105.48 147.64 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -40.75 -56.13 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.2 m -41.85 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -43.53 -62.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.5 t80 -39.51 -51.13 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.9 mmt -71.26 -35.27 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -64.96 -47.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.42 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -65.67 -45.85 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.18 -48.42 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -39.81 -52.47 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.435 ' CB ' ' CE1' ' A' ' 91' ' ' HIS . . . -53.41 -44.55 68.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 29.9 mmm -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.88 -36.75 80.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -39.86 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.04 -2.31 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.66 29.9 64.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.0 -172.61 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 120' ' ' MET . 81.0 mt-30 -126.43 152.51 46.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.599 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -93.8 -173.74 0.37 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.08 121.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 0.9 OUTLIER -68.83 138.61 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.48 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 2.5 mm? -38.34 -36.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -63.45 -60.14 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -40.35 51.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.497 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 3.1 mm -55.81 -60.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.18 -57.7 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -47.31 -52.05 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -62.16 -55.68 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -38.49 -61.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -44.16 -49.33 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -45.22 41.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.3 mp -61.74 -57.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -60.81 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.03 -63.1 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . 45.45 61.79 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.44 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.25 156.71 26.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 65.59 6.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.98 145.53 31.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 131.62 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -175.23 120.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -144.84 164.82 29.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.48 171.95 43.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -174.07 173.35 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -168.67 167.03 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 150.95 22.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 129.41 12.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.39 83.6 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.16 -163.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -115.43 133.19 22.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.59 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.1 Cg_endo -75.01 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 24.62 88.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -56.18 -31.72 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.56 172.87 6.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -75.01 -11.79 21.47 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -67.81 -51.44 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 69.6 mm-40 -51.51 -36.65 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.32 -18.25 61.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -88.13 -18.28 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -71.69 -34.16 69.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 133' ' ' ILE . 3.7 m -101.94 10.44 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 57.2 ttp85 -75.95 120.33 21.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HG ' ' CB ' ' A' ' 46' ' ' CYS . 28.3 mt -75.8 -178.54 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -147.68 132.65 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 26' ' ' SER . 4.0 ttp-105 -34.32 -44.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.0 -63.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -46.07 -44.38 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 39.4 mt -64.27 -45.44 88.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 81' ' ' THR . 0.5 OUTLIER -59.95 -20.91 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -96.49 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CD1' ' N ' ' A' ' 33' ' ' TRP . 10.7 m0 -67.34 -16.13 64.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 t -68.21 -17.57 64.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 8.2 p80 -114.75 20.26 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.558 ' SD ' ' CE1' ' A' ' 35' ' ' HIS . 22.6 mmm -135.17 164.13 46.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 40.2 p90 43.93 21.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' N ' ' C ' ' A' ' 37' ' ' PRO . 72.3 t80 -67.18 -69.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -61.9 -23.0 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -77.06 -36.77 55.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' THR . 49.4 m -83.1 -70.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 42' ' ' THR . 12.8 m -36.75 -33.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.8 m -67.31 113.47 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.97 -2.31 22.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 74.2 m -97.0 -171.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 33.0 m-85 -139.51 130.45 26.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' CG2' HD13 ' A' ' 89' ' ' LEU . 29.1 m -126.82 153.46 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mtp180 -89.98 118.01 29.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 HG12 ' CG ' ' A' ' 98' ' ' PHE . 5.9 tp -101.73 149.8 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.25 113.0 4.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.461 ' CG1' HG12 ' A' ' 60' ' ' VAL . 2.4 pt -90.75 -28.57 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 52' ' ' ILE . . . -137.5 136.23 8.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -143.71 84.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -125.1 179.86 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.4 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.01 179.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.03 146.42 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -175.94 2.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 HG12 ' CG1' ' A' ' 52' ' ' ILE . 2.4 t -141.52 112.31 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -125.25 146.31 49.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.425 ' HG3' ' CG2' ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.98 127.8 29.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.51 HG11 ' CZ ' ' A' ' 108' ' ' PHE . 48.7 t -57.58 138.09 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.402 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -144.08 135.96 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.83 134.96 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.1 mt -72.7 123.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 p -110.53 -5.43 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.96 -174.51 37.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 78.6 t -133.8 119.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.5 m -98.16 176.45 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -121.59 152.61 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -127.78 176.76 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.54 -30.25 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -91.73 146.77 23.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 24.1 t -114.49 147.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 27.7 p90 -136.34 156.17 49.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.75 154.17 42.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -154.43 91.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.38 13.59 50.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.87 -41.28 1.68 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' LEU . 13.8 t -84.34 145.11 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.475 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.3 OUTLIER -104.37 113.2 26.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -113.82 167.18 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 9.6 p-10 -140.94 45.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -116.3 118.52 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.21 115.22 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.9 mt -69.83 113.03 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.38 98.59 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 48' ' ' VAL . 13.5 mt -104.84 148.35 26.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.71 119.57 23.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -109.73 99.38 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.89 -130.69 10.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -94.69 18.4 11.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.4 147.47 49.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -108.61 153.98 22.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.9 mtt180 -143.96 175.52 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.3 t -148.79 107.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 92.4 m-85 -115.25 -168.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 40.5 mtt180 -119.8 163.88 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.99 -34.79 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.8 pt-20 -59.02 -39.04 80.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -80.04 -6.61 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.7 t -89.02 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -103.08 114.69 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -39.18 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 52.69 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.29 119.17 20.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CZ ' HG11 ' A' ' 63' ' ' VAL . 9.3 m-85 -44.53 136.12 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.5 t -107.44 137.29 45.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -38.2 -47.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -47.19 -67.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 115' ' ' LYS . 48.9 mt-10 -56.06 -55.28 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.9 t80 -39.59 -40.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.75 -36.97 42.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' GLU . 10.3 mmtp -61.59 -46.82 88.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.434 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.7 t90 -65.46 -44.71 86.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.44 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.8 OUTLIER -47.92 -44.68 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.18 -50.46 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.2 -38.13 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 22.9 mmm -74.47 -38.41 62.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.19 -28.49 64.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.5 t -81.83 -45.86 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' CB ' ' SD ' ' A' ' 125' ' ' MET . . . -72.82 -12.4 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.0 81.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.483 ' SD ' ' CB ' ' A' ' 123' ' ' ALA . 15.8 mtp -77.38 170.06 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 48.5 mt-30 -112.1 152.2 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.558 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -93.29 -177.45 0.7 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.1 Cg_endo -75.04 130.03 12.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.37 139.7 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.374 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.76 -32.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -52.08 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.8 mm-40 -61.07 -43.17 99.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.501 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -57.54 -45.32 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.06 -63.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -48.94 -39.88 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.41 -52.5 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.9 tt0 -46.64 -61.43 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -44.37 -46.79 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -44.11 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.72 -53.27 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.3 mppp? -48.17 -63.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -40.84 -52.45 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -41.07 -65.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.5 p -54.4 167.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.15 -94.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.52 29.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.6 p -134.4 116.27 14.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 29.6 t -147.78 -57.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -174.58 170.43 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -178.5 163.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.67 -111.99 0.54 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t 62.1 126.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.069 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.66 154.76 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 131.76 1.32 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 132.82 15.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -172.53 94.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.86 -164.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.474 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.1 OUTLIER -113.7 132.46 22.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.93 104.35 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.0 OUTLIER 22.69 89.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -30.92 61.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 172.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.95 -23.9 13.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -53.72 -56.14 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 50.4 mm-40 -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 47' ' ' PHE . 7.5 tp -65.02 -27.84 69.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -76.58 -26.59 55.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -67.09 -25.38 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG2' HD12 ' A' ' 133' ' ' ILE . 16.6 m -118.84 14.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 41.7 ttp85 -83.9 90.86 7.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 5.8 mt -48.54 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 35.9 p -129.0 136.12 49.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 8.0 ttp-105 -36.4 -41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -53.67 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -50.89 -45.92 60.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 34' ' ' CYS . 55.0 mt -57.52 -50.26 73.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -21.37 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.54 -48.94 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 11.6 m0 -67.72 -15.99 63.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 107.978 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t -66.91 -14.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 108.254 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -112.05 9.81 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 40.5 mmm -108.36 160.39 27.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.06 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' O ' ' OG1' ' A' ' 42' ' ' THR . 19.0 p90 -79.12 49.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' VAL . 76.1 t80 -86.54 -69.1 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -53.9 -45.93 71.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -49.32 74.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.8 m -69.06 -72.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 25.0 m -35.36 -37.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.1 m -62.2 105.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.97 -26.81 7.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' SG ' ' CD1' ' A' ' 140' ' ' ILE . 66.5 m -75.37 166.42 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 16.0 m-85 -118.15 150.26 39.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.483 ' CG2' HD13 ' A' ' 89' ' ' LEU . 27.3 m -142.48 154.99 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -96.98 124.34 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG12 ' CE2' ' A' ' 98' ' ' PHE . 6.5 tp -100.53 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -111.06 74.26 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.492 HD13 ' CG1' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.28 -42.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 171.35 -162.21 34.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -144.72 87.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.33 139.83 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.94 174.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.99 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -54.76 140.81 58.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.29 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.554 1.818 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.492 ' CG1' HD13 ' A' ' 52' ' ' ILE . 3.7 t -144.76 132.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -150.92 165.12 34.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -151.42 140.25 20.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG23 ' CD1' ' A' ' 108' ' ' PHE . 46.6 t -87.09 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -144.04 157.14 44.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.84 133.14 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.4 mt -69.57 127.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 p -115.18 6.89 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.27 179.37 26.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 77.5 t -125.59 121.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.8 m -98.65 -178.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.5 pt-20 -132.7 121.65 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p -94.73 175.8 6.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.41 -32.82 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -94.16 151.27 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 30.5 t -116.62 150.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.1 p90 -134.61 163.46 29.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.03 144.56 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' THR . 57.4 tp -136.58 67.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.19 71.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.01 -49.23 0.89 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.9 t -83.38 142.34 31.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -104.15 113.64 27.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 76' ' ' TYR . 15.3 t -111.81 168.75 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.455 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 2.8 p-10 -139.31 16.27 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HE3' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mtpp -89.19 114.74 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.61 113.71 3.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.49 114.73 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -77.23 95.74 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.483 HD13 ' CG2' ' A' ' 48' ' ' VAL . 12.4 mt -99.94 142.87 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.6 ttm-85 -117.32 130.98 56.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -117.64 102.32 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.49 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 65.33 -129.9 34.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.73 15.93 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 143.24 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.86 158.87 15.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.444 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 9.5 mtt180 -147.27 179.28 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 44.1 t -154.13 107.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 50' ' ' ILE . 88.4 m-85 -112.13 -171.06 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.574 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 83.4 mtt180 -119.89 159.19 25.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.4 -36.73 76.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 11.6 pt-20 -57.39 -32.13 66.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 16.1 m-30 -90.32 -13.71 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.3 t -74.4 99.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -53.01 160.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -123.89 36.74 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.496 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 mp0 -111.88 166.22 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.6 140.72 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 10.6 m-85 -58.05 122.87 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 p -77.78 175.73 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.46 -23.98 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 20.0 m -79.0 -70.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 10.4 mm-40 -37.78 -62.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 28.4 t80 -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.5 mmt -76.19 -41.91 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -59.5 -44.18 93.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.9 t90 -66.69 -47.91 70.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.433 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -44.45 -47.93 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.88 -51.03 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.88 -45.66 71.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.47 ' HE3' ' CD2' ' A' ' 127' ' ' LEU . 24.8 mmm -66.3 -41.04 90.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -68.87 -35.84 77.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -72.54 -38.24 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.57 9.38 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 47.88 39.12 17.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.67 -171.53 2.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.42 ' O ' ' CE ' ' A' ' 120' ' ' MET . 37.5 mt-30 -127.77 142.96 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.592 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -88.76 -179.33 1.25 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 130.67 13.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -79.89 140.2 36.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.48 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 1.9 mm? -38.59 -31.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 6.9 t0 -66.88 -56.42 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -56.07 -29.19 60.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 23' ' ' VAL . 2.4 mm -69.52 -53.44 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.08 -53.89 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -52.61 -41.85 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 132' ' ' GLU . 14.7 tppt? -70.94 -51.85 23.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.34 -59.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -46.06 -48.64 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -43.41 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.43 HD11 ' CD ' ' A' ' 136' ' ' LYS . 2.4 mp -63.87 -53.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -51.14 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.25 -53.87 38.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.55 -52.16 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.89 167.53 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 82.76 85.35 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 t -127.75 149.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.2 t -111.51 -56.57 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.61 125.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -168.05 172.02 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.12 -174.08 29.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.41 156.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -170.08 166.4 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.56 130.2 2.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.41 41.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.58 72.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -160.93 158.78 28.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.485 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 1.3 tt0 -118.47 144.08 34.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.522 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 151.48 39.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' CG1' HD12 ' A' ' 133' ' ' ILE . 4.4 m -37.14 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.434 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -85.6 -2.87 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.504 ' C ' ' CZ ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -145.35 161.36 41.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.07 20.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.2 mt-10 -68.87 -69.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 51.5 mm-40 -42.03 -50.06 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.8 -38.92 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -61.43 -26.5 67.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 49.5 mtp180 -63.43 -48.16 78.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -89.41 24.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -82.82 92.34 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HG ' ' CB ' ' A' ' 46' ' ' CYS . 12.6 mt -51.42 163.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 p -136.73 134.73 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -39.33 -48.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -45.7 -62.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -50.57 -56.99 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 68.7 mt -48.77 -45.58 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -23.12 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.4 mtt180 -97.44 -49.36 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.464 ' HA ' ' CG ' ' A' ' 36' ' ' MET . 11.9 m0 -66.93 -18.29 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.31 -16.41 60.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p-80 -111.19 5.31 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.464 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 39.4 mmm -100.09 160.74 26.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -79.67 48.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -82.83 -74.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -50.86 -46.01 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.56 -52.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 94.3 m -65.42 -72.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.503 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 11.4 m -35.96 -35.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.4 m -66.1 111.92 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.23 9.95 16.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.428 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 9.3 m -119.11 -179.39 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.1 m-85 -130.55 138.3 50.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.4 m -121.24 152.35 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' NH1' ' OE2' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -90.25 104.89 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.58 HG12 ' CD2' ' A' ' 98' ' ' PHE . 3.1 tp -100.66 149.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.64 104.1 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 ' CD1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -44.55 -88.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.84 108.66 0.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -116.27 102.89 9.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -106.13 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.23 169.8 8.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.83 176.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 155.2 0.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.52 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG21 ' CD1' ' A' ' 52' ' ' ILE . 8.0 p -143.52 144.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.41 ' N ' HG22 ' A' ' 60' ' ' VAL . 38.0 m-85 -152.06 144.84 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 111.046 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 7.7 mmp_? -130.08 126.74 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 128.74 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.66 162.37 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.9 tt0 -120.77 131.6 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.4 mt -73.62 120.34 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.411 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -106.67 -5.79 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.11 -169.28 37.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 60.4 t -135.45 132.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.0 m -107.44 -176.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 128.03 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.6 p -100.24 -177.13 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.11 -30.09 8.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 149.97 22.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.563 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 14.4 t -114.69 143.82 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 11.0 p90 -134.17 168.02 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -82.34 144.76 30.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' THR . 39.8 tp -133.64 62.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.25 86.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.83 -61.45 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.9 t -82.9 148.57 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -112.92 114.27 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 76' ' ' TYR . 14.9 t -113.91 146.09 40.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 4.3 p-10 -111.36 35.32 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.7 mtmm -102.82 157.14 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.76 125.49 5.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD11 ' CG2' ' A' ' 103' ' ' VAL . 9.3 mt -78.99 112.76 16.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.41 96.44 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.24 158.47 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.411 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 6.8 ttm-85 -135.68 125.88 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -115.48 102.52 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.425 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 69.45 -119.33 9.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -104.23 19.56 19.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.05 135.05 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -94.42 160.79 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.449 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mtt-85 -148.12 178.81 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.9 t -152.86 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 50' ' ' ILE . 89.4 m-85 -108.1 -170.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.555 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 84.5 mtt85 -120.09 165.39 14.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mp -66.19 -37.54 85.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.544 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -52.25 -40.99 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.544 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.7 m-85 -80.52 -27.37 37.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.417 ' CG2' HD11 ' A' ' 87' ' ' LEU . 7.0 t -59.39 99.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -73.37 163.13 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -125.8 84.11 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.13 166.77 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.1 139.42 38.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -65.61 124.96 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 p -74.38 150.29 40.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.61 -26.64 56.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.4 t -79.37 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 113' ' ' PHE . 5.6 pt-20 -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CZ ' ' C ' ' A' ' 16' ' ' LEU . 26.9 t80 -55.53 -35.08 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.16 -43.64 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 12.9 mptt -54.3 -39.61 67.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -68.87 -47.04 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.443 ' CG ' HD23 ' A' ' 127' ' ' LEU . 1.0 OUTLIER -48.42 -43.52 34.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.29 -48.35 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.82 83.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.474 ' HE2' ' CD2' ' A' ' 127' ' ' LEU . 28.1 mmm -65.33 -40.07 93.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -68.98 -39.21 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -69.27 -38.86 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.71 -0.57 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.18 32.1 66.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -90.57 -173.67 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.409 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.8 mt-30 -125.25 147.0 49.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.577 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -94.22 -175.19 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.2 p -81.57 138.75 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.1 mm? -40.4 -42.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -49.65 67.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.7 OUTLIER -65.21 -45.84 83.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.502 HD12 ' CG1' ' A' ' 14' ' ' VAL . 2.0 mm -50.26 -59.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.78 -64.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -42.66 -57.33 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.8 tppt? -51.93 -61.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.7 tp10 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -44.91 -31.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -70.23 -40.8 74.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 137' ' ' GLU . 1.8 mp -59.16 -46.71 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -60.08 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 143' ' ' ALA . 70.9 mt-10 -57.55 -48.04 80.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 142' ' ' GLU . . . -40.43 -65.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.5 t -60.7 -154.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.07 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -149.43 90.71 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.42 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.3 t -162.17 111.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.2 t -81.83 153.72 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.82 161.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.65 166.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.83 108.45 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -167.54 161.76 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -178.36 171.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.08 165.15 32.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 136.28 20.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.819 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 88.74 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -133.43 111.46 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.4 -170.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.482 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.1 tt0 -108.24 129.95 23.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.609 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 15.3 m 21.99 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -20.17 66.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' CD1' ' CD ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -142.47 171.54 7.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.0 -10.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.9 mt-10 -67.02 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' CD ' ' CD1' ' A' ' 16' ' ' LEU . 1.3 mt-10 -41.0 -49.21 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 47' ' ' PHE . 9.5 tp -62.35 -41.21 98.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 m-20 -58.32 -22.42 53.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -71.3 -33.58 69.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 133' ' ' ILE . 5.6 m -110.17 14.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' NH2' ' CG ' ' A' ' 107' ' ' GLU . 6.5 tmm_? -77.27 95.34 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.576 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 10.9 mt -56.01 156.15 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.1 p -123.55 138.02 54.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.6 ttp180 -37.4 -56.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -46.07 -67.13 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 20.5 mttp -41.67 -48.12 4.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.582 ' O ' ' N ' ' A' ' 34' ' ' CYS . 21.0 mt -59.7 -65.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -36.08 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 mtt85 -81.03 -51.63 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 9.8 m0 -67.76 -17.37 64.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.582 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -64.88 -11.7 40.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -113.93 7.83 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.5 mmm -104.46 160.43 26.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' O ' ' OG1' ' A' ' 42' ' ' THR . 22.9 p90 -81.51 46.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CE1' HG12 ' A' ' 43' ' ' VAL . 11.0 t80 -82.29 -71.92 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -47.44 -53.88 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -57.26 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 38' ' ' PHE . 99.4 m -57.84 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.562 HG12 ' CE1' ' A' ' 39' ' ' PHE . 12.9 m -39.12 -45.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.538 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.9 m -52.12 105.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.09 -15.45 8.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 88.8 m -90.03 174.45 7.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.602 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.1 m-85 -120.16 144.09 47.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.471 ' CG2' HD13 ' A' ' 89' ' ' LEU . 33.5 m -135.66 145.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 5.2 ttp85 -89.04 112.65 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.545 HG12 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -99.87 149.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.75 106.37 1.21 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.504 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -52.9 -99.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.53 -129.54 3.66 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -173.21 157.31 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.786 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.57 75.7 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.7 t -179.77 -71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.0 163.14 42.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.49 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.504 ' CG1' HG12 ' A' ' 52' ' ' ILE . 11.4 p -155.71 140.91 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' NH1' ' A' ' 49' ' ' ARG . 29.2 m-85 -152.83 144.81 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -129.01 127.18 41.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG23 ' CE1' ' A' ' 108' ' ' PHE . 54.9 t -78.59 131.47 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -134.84 166.34 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.53 128.77 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.466 HD13 ' CG1' ' A' ' 48' ' ' VAL . 40.1 mt -64.76 112.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 p -97.9 2.59 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 -176.49 32.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 70.5 t -130.26 120.08 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.73 169.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.96 142.7 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.0 p -114.33 173.79 6.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.02 -32.74 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -96.86 141.96 29.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 40.8 t -106.94 148.95 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.489 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 34.2 p90 -136.17 156.0 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.56 150.69 46.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 9.2 tp -154.39 91.96 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.55 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.48 -39.97 2.59 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.1 t -83.94 146.74 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -106.36 112.27 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 t -113.31 166.35 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.481 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 7.4 p-10 -140.46 40.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -114.01 117.55 31.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.82 120.06 5.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.448 HD13 ' CG2' ' A' ' 103' ' ' VAL . 6.4 mt -71.25 114.48 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.373 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.5 97.15 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 48' ' ' VAL . 13.9 mt -103.54 158.85 16.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -140.22 125.14 18.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -110.22 130.37 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.41 -108.92 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -119.49 22.44 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.46 150.39 47.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 153.02 20.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 6.6 mtt-85 -144.96 176.93 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -151.44 108.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CD2' HG12 ' A' ' 50' ' ' ILE . 82.8 m-85 -113.41 -171.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.489 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 34.5 mtt-85 -116.9 174.58 6.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 7.1 mp -71.27 -33.01 69.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 13.3 pt-20 -60.23 -39.91 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -76.98 -19.96 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.448 ' CG2' HD13 ' A' ' 87' ' ' LEU . 7.6 t -72.34 103.51 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.4 173.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -119.25 -40.05 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -44.11 166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 8.9 mt-10 -81.62 167.42 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.503 ' CE1' HG23 ' A' ' 63' ' ' VAL . 4.8 m-85 -75.07 133.24 41.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.7 t -101.38 146.72 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' SER . 39.6 tt0 -47.48 -55.15 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' GLU . 51.0 m -39.54 -72.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.38 -59.5 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 34.4 t80 -38.54 -37.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mmt -81.6 -44.5 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.8 mptt -54.99 -42.39 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.402 ' CZ2' ' HE2' ' A' ' 47' ' ' PHE . 4.5 t90 -67.5 -49.9 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.424 ' CG ' HD23 ' A' ' 127' ' ' LEU . 1.1 mtpp -43.76 -48.73 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -42.04 -51.14 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.31 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.516 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -67.81 -39.81 83.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -69.44 -37.9 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -72.56 -38.76 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.94 -1.14 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.88 37.57 85.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.58 -174.79 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.516 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.1 mt-30 -124.33 148.44 47.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.569 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -91.7 -176.41 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.7 p -85.86 139.14 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.482 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -43.87 -28.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.4 -48.52 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.5 mt-10 -68.6 -48.86 63.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 23' ' ' VAL . 1.1 mm -46.12 -55.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.14 -56.44 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.236 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -51.39 24.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 137' ' ' GLU . 14.6 tppt? -61.66 -56.18 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 136' ' ' LYS . 32.2 tt0 -37.66 -61.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -43.9 -50.33 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -41.0 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . . . . . . . . . 3.1 mp -69.08 -44.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.46 -62.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -42.77 -49.61 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.18 -60.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 61.5 p -74.82 162.17 28.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.12 166.1 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.2 m -97.75 163.9 12.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.88 161.34 42.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t 66.57 -72.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER 71.97 79.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.4 -166.88 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -159.79 169.53 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -171.86 155.49 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.92 176.63 18.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.38 10.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.92 9.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.0 146.65 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.28 -168.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' O ' ' HG ' ' A' ' 130' ' ' LEU . 4.1 tt0 -114.34 129.49 24.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.97 156.39 43.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.504 ' CG1' HD13 ' A' ' 133' ' ' ILE . 4.4 m -39.85 97.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -67.61 -26.88 66.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.071 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.17 170.11 12.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.94 -7.38 19.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.2 mt-10 -65.02 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' CD ' ' CD2' ' A' ' 130' ' ' LEU . 1.5 mt-10 -44.7 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD13 ' CG ' ' A' ' 47' ' ' PHE . 8.3 tp -63.06 -36.4 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.8 m-20 -63.46 -26.85 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 19.6 mtp85 -66.76 -51.91 50.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.4 m -89.37 16.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 31.6 ttp85 -80.37 88.18 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -46.65 165.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ARG . 60.5 p -135.75 137.51 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' SER . 12.8 ttp180 -36.32 -58.04 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -46.56 -64.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -42.7 -49.47 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 34' ' ' CYS . 37.2 mt -58.94 -54.41 47.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.53 -28.84 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -85.61 -50.56 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.588 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 13.8 m0 -67.24 -14.67 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.57 -17.41 64.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.293 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.8 p80 -108.15 12.45 26.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.5 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 50.9 mmm -111.17 159.22 33.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.415 ' O ' ' OG1' ' A' ' 42' ' ' THR . 18.7 p90 -77.21 50.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -85.1 -74.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -47.52 -46.3 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -54.69 25.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.579 HG23 ' CZ3' ' A' ' 33' ' ' TRP . 25.2 m -65.13 -73.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 5.9 m -34.72 -37.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -64.24 106.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.23 -15.27 8.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 m -88.92 172.64 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.0 m-85 -123.36 146.74 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 89' ' ' LEU . 28.8 m -138.97 151.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 105' ' ' ASN . 1.0 OUTLIER -93.78 112.28 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 98' ' ' PHE . 5.7 tp -100.03 149.98 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.03 104.64 1.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.507 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -49.64 -87.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.78 -119.49 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 178.32 134.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -129.78 -78.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.618 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -162.08 -179.74 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.57 84.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 58.68 158.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.1 39.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.507 ' CG1' HG12 ' A' ' 52' ' ' ILE . 9.2 p -101.74 145.02 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -153.39 150.5 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 91' ' ' HIS . 7.0 mmp_? -132.24 127.42 35.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 79.3 t -76.2 125.3 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -130.73 165.57 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 10.3 tt0 -123.59 128.19 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.2 mt -63.55 112.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 p -96.78 -0.2 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.75 -167.85 35.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.8 t -138.61 123.95 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.4 m -100.39 -176.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.9 pt-20 -135.4 122.96 22.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 p -95.88 172.22 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.51 -35.49 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -95.61 150.5 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 42.2 t -111.72 146.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.655 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 18.1 p90 -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.5 145.31 50.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 tp -146.81 82.25 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.04 15.29 79.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.73 -34.26 4.44 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -84.47 148.26 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.48 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.1 112.4 25.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.655 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -113.91 166.47 11.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.473 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 8.8 p-10 -147.47 44.87 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -117.09 98.65 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.58 112.67 4.78 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.65 110.62 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.87 95.54 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.472 HD12 ' CG2' ' A' ' 48' ' ' VAL . 13.0 mt -101.05 154.95 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 ttp180 -128.86 123.18 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 62' ' ' ARG . 44.8 t60 -111.74 100.34 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.29 -127.46 12.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.32 21.49 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.72 144.18 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.14 154.76 18.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.481 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 mtt-85 -141.19 169.7 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.2 t -142.67 101.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 50' ' ' ILE . 95.8 m-85 -109.36 -173.19 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 21.0 mtt180 -117.89 165.65 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.78 -34.69 78.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 14.4 pt-20 -58.32 -35.63 72.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.3 m-30 -84.05 -25.78 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.5 t -60.7 94.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.16 159.51 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 8.9 p30 -110.71 -163.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 13.6 tt0 74.51 167.09 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 12.7 pt-20 -73.3 149.04 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 6.9 m-85 -59.64 159.36 8.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -102.25 145.56 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -56.6 -26.74 56.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -75.22 -69.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.37 -55.49 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.6 t80 -41.64 -66.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.2 mmt -58.21 -39.45 79.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -59.86 -39.09 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.471 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -70.29 -44.98 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 107.963 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.454 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.8 OUTLIER -47.82 -47.35 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.25 -52.05 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.13 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.49 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 28.7 mmm -65.72 -39.66 91.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.77 -37.85 73.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -37.97 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.37 10.41 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 46.64 41.71 13.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -98.19 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.49 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.8 mt-30 -124.64 147.06 48.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.592 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -91.88 -174.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.95 127.47 10.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -71.17 135.11 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 38.8 mt -42.07 -41.28 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -47.75 78.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -63.06 -45.47 92.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' A' ' 14' ' ' VAL . 2.7 mm -48.99 -57.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.06 -64.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -42.28 -59.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.9 tppt? -49.53 -60.13 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.6 tp10 -41.96 -56.89 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -42.53 -33.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -69.84 -44.3 70.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.935 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -56.4 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.16 -52.01 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -41.86 -59.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.77 98.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.71 104.13 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -175.51 163.47 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.3 p -152.24 -57.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.93 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -108.16 135.05 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 p -157.48 161.5 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.22 134.49 5.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -164.67 126.72 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -160.99 164.9 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.11 90.52 0.3 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.558 1.162 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.84 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 67.75 76.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.93 -171.26 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.2 OUTLIER -104.51 131.81 21.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.592 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.8 m 24.91 89.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -34.56 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -134.96 174.36 4.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -19.49 17.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.7 mt-10 -61.37 -49.23 77.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' ' CD1' ' A' ' 16' ' ' LEU . 35.6 mm-40 -50.14 -42.08 50.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 ' CE2' ' A' ' 47' ' ' PHE . 6.9 tp -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 2.6 m-20 -78.04 -28.56 49.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 24.2 mtp85 -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' HD12 ' A' ' 133' ' ' ILE . 18.9 m -100.41 29.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 40.3 ttp85 -89.41 89.86 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.57 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 9.0 mt -44.02 155.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -122.88 130.51 52.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.053 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -37.86 -44.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -56.74 -62.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -46.37 -49.87 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 34' ' ' CYS . 22.3 mt -56.81 -55.37 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.0 mtt180 -93.19 -50.54 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 11.2 m0 -68.69 -9.37 49.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -58.53 -16.43 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.53 -19.89 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.413 ' SD ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 mmt -53.88 154.93 6.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 36' ' ' MET . 18.2 Cg_endo -75.01 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.5 p90 -82.19 12.82 3.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' CD1' ' O ' ' A' ' 33' ' ' TRP . 35.7 t80 -35.12 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -49.16 -45.35 43.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -51.86 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' THR . 5.8 m -66.59 -72.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 10.4 m -36.58 -33.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -68.62 106.57 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.75 6.64 11.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.464 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 19.2 m -112.13 170.19 8.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.9 m-85 -118.95 141.8 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.422 ' CG2' HD12 ' A' ' 89' ' ' LEU . 19.8 m -134.22 147.32 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.42 ' NH2' ' HB2' ' A' ' 61' ' ' TYR . 1.6 tpt85 -86.92 114.84 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.581 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -101.22 146.07 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.15 107.54 2.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.503 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -55.37 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.08 -107.46 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 177.09 139.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -129.96 178.47 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.609 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' LYS . 16.9 t30 -76.67 -67.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 85.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.8 mttp 60.38 158.51 0.11 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.44 35.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG23 ' CD1' ' A' ' 52' ' ' ILE . 7.4 p -107.54 143.43 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.431 ' CE1' ' OG ' ' A' ' 104' ' ' SER . 37.8 m-85 -148.46 144.75 27.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.442 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 2.9 mmt-85 -123.04 141.28 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.522 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 84.6 t -83.91 143.67 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -149.6 154.74 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -115.79 125.34 52.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.22 115.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -104.95 1.22 28.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.76 -174.84 33.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.77 123.36 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.472 ' CG2' HG11 ' A' ' 97' ' ' VAL . 26.1 m -99.01 170.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 146.02 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.1 p -121.49 175.0 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.71 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -92.97 146.74 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 24.4 t -115.3 149.86 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 23.7 p90 -140.14 160.85 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -74.8 150.44 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 17.2 tp -149.15 79.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.09 22.88 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.152 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.76 -41.63 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.0 t -84.67 142.89 29.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.471 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.7 mtt180 -104.18 113.79 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.564 HG21 ' CE1' ' A' ' 76' ' ' TYR . 9.5 t -112.14 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.455 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 3.9 p-10 -140.82 17.9 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -97.16 115.74 28.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.27 124.51 6.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.02 114.8 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.262 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.15 96.27 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 11.6 mt -103.89 143.29 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -124.68 116.73 22.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -101.51 91.3 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.568 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.449 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 74.63 -129.8 11.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.19 11.86 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.09 137.23 54.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.01 155.18 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 97' ' ' VAL . 16.0 mtt180 -148.87 -179.71 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.472 HG11 ' CG2' ' A' ' 70' ' ' VAL . 78.5 t -156.7 105.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.9 m-85 -107.97 173.99 6.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 11.3 mtp180 -99.29 154.46 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 4.8 mp -59.23 -20.11 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.4 pt-20 -74.22 -24.82 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.9 m-30 -89.61 -15.39 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.08 117.89 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.431 ' OG ' ' CE1' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -76.31 175.48 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 56.4 t30 -116.78 -38.2 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 105' ' ' ASN . 1.1 mt-30 -38.93 159.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 9.7 pt-20 -91.73 163.01 14.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -74.67 150.78 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.433 ' H ' ' CG ' ' A' ' 112' ' ' GLU . 11.8 t -122.01 160.58 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.04 -32.93 64.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -75.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.512 ' OE1' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -47.97 -40.65 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.2 t80 -55.61 -45.1 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.9 mmt -76.79 -34.25 57.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -65.32 -45.92 82.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.1 t90 -67.3 -43.43 81.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.431 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.5 OUTLIER -48.77 -45.0 39.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.45 -50.48 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.89 71.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.474 ' HE1' ' CD2' ' A' ' 127' ' ' LEU . 24.4 mmm -64.25 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.56 -38.51 77.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -36.77 73.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.07 0.59 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.99 32.11 66.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.449 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.74 -173.5 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 120' ' ' MET . 8.2 pt20 -127.23 143.53 51.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.598 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -89.09 -177.21 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 132.51 15.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 130' ' ' LEU . 2.9 p -81.08 139.61 35.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 2.1 mm? -38.49 -42.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -59.11 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -47.01 62.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.497 HD13 ' CG1' ' A' ' 14' ' ' VAL . 1.6 mm -51.74 -50.71 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.64 -59.34 3.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.8 -52.81 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.2 tppt? -58.53 -60.57 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 tp10 -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -42.01 -39.86 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.9 OUTLIER -61.37 -43.68 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.2 mp -59.8 -49.97 81.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -50.8 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.75 -55.72 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.26 -61.5 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.18 101.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.53 36.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.4 33.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 79.8 p -130.94 127.72 39.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.3 m -77.96 124.21 27.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -109.53 -63.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 0.802 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.62 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 132.72 1.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.45 169.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.91 170.19 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.65 152.19 22.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.27 39.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.39 3.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.792 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.28 62.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.91 156.42 33.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.3 OUTLIER -115.38 147.61 39.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.529 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.02 154.81 42.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 133' ' ' ILE . 9.4 m -36.9 97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -67.36 -27.28 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' C ' ' CE2' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -132.18 169.65 13.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.95 -15.63 20.75 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 9.3 mt-10 -59.3 -62.05 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 70.3 mm-40 -45.43 -47.53 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 tp -60.86 -36.72 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.6 m-20 -65.97 -20.48 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 30.4 mtp180 -74.95 -22.35 58.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.8 m -119.72 17.26 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -86.5 103.32 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD12 ' CD2' ' A' ' 30' ' ' LEU . 17.3 mt -59.81 176.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.4 p -146.87 140.46 25.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 5.7 ttp85 -36.78 -54.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.403 ' HB3' ' NH2' ' A' ' 32' ' ' ARG . 20.0 m-70 -50.77 -61.23 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -48.19 -44.79 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 40.1 mt -64.54 -42.46 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -24.77 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 3.0 mtt85 -91.82 -50.27 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.483 ' HA ' ' CG ' ' A' ' 36' ' ' MET . 11.1 m0 -67.37 -18.98 65.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.38 -17.02 64.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.281 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 3.9 p-80 -106.94 10.47 30.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -109.97 159.9 30.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -82.82 46.28 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 59.8 t80 -81.38 -73.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.91 -47.5 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -52.08 59.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 48.3 m -64.54 -72.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 17.3 m -37.25 -42.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.9 m -57.87 113.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.36 -1.67 26.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.3 m -105.24 -175.08 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 12.8 m-85 -132.27 145.97 51.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.41 ' CG2' HD12 ' A' ' 89' ' ' LEU . 27.3 m -132.85 145.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.51 110.78 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.3 tp -100.02 153.06 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.94 91.92 0.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.504 ' CG1' HG13 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -51.37 -38.66 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' N ' HG12 ' A' ' 52' ' ' ILE . . . -169.18 -174.52 37.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 p30 178.3 78.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -170.8 68.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 55' ' ' HIS . 3.1 m-20 162.28 95.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt 66.91 157.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.66 8.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.504 HG13 ' CG1' ' A' ' 52' ' ' ILE . 2.5 t -130.1 124.99 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 26.7 m-85 -141.58 149.8 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 61' ' ' TYR . 8.6 mmp_? -139.72 159.86 41.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.19 126.82 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -129.38 154.37 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 24.3 tt0 -111.43 140.73 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 8.9 mt -76.08 129.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 p -113.64 -8.96 13.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.46 -165.76 36.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -138.31 124.34 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.44 ' CG2' HG21 ' A' ' 97' ' ' VAL . 21.7 m -98.89 179.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.2 pt-20 -133.36 117.5 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -87.5 174.47 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 -32.62 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -94.96 151.27 19.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 84' ' ' ASN . 12.1 t -110.22 148.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 34.1 p90 -135.89 160.02 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 46.6 tt0 -76.41 149.27 36.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.6 tp -148.41 90.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.78 59.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.73 -40.08 1.86 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 6.1 t -83.87 145.15 28.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mtt180 -100.6 113.03 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.517 HG21 ' CZ ' ' A' ' 76' ' ' TYR . 14.7 t -113.4 165.85 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 8.1 p-10 -138.89 43.05 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -119.91 122.47 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.71 113.24 4.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 5.7 mt -69.49 112.83 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 1.8 tt0 -76.17 112.52 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 96' ' ' ARG . 12.6 mt -115.8 137.32 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.37 116.36 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.97 119.55 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.472 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.85 -126.22 41.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -98.78 21.6 11.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.88 133.32 50.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 154.01 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.582 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 17.1 mtt180 -160.88 -180.0 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' A' ' 88' ' ' GLN . 2.9 p -157.96 110.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 50' ' ' ILE . 14.8 m-85 -106.04 179.77 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -94.12 162.01 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.5 mp -65.53 -29.88 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.97 -44.84 87.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -76.82 -20.1 56.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.9 t -67.68 91.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 161.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -123.04 41.27 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.06 155.89 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.27 132.35 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -50.3 134.31 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.5 t -99.61 155.03 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -50.32 -57.48 7.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.0 t -41.33 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.425 ' OE1' ' N ' ' A' ' 112' ' ' GLU . 0.3 OUTLIER -43.51 -63.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.496 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.2 t80 -36.17 -60.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.09 -55.03 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -39.17 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.3 -49.57 48.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' CG ' HD22 ' A' ' 127' ' ' LEU . 1.2 mtpp -46.8 -42.07 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -46.97 -51.45 17.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.88 -37.61 69.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.469 ' HE2' ' CD2' ' A' ' 127' ' ' LEU . 28.4 mmm -74.88 -38.28 61.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.33 -28.47 62.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -77.4 -48.43 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.482 ' CB ' ' SD ' ' A' ' 125' ' ' MET . . . -73.65 -8.33 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.25 77.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.482 ' SD ' ' CB ' ' A' ' 123' ' ' ALA . 14.3 mtp -79.85 169.93 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' O ' ' CE ' ' A' ' 120' ' ' MET . 51.8 mt-30 -110.49 152.39 26.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.6 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -95.65 -174.14 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.07 129.52 12.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.1 p -80.07 138.88 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.6 mm? -39.35 -33.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -60.03 -53.44 57.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.0 mt-10 -63.99 -35.55 81.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.472 HD11 ' CG1' ' A' ' 14' ' ' VAL . 4.1 mm -60.16 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.45 -54.82 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -49.5 -48.73 47.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.407 ' HG3' ' CD1' ' A' ' 140' ' ' ILE . 16.0 tppt? -66.93 -53.02 35.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -40.42 -58.85 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -47.45 -50.01 23.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -44.53 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.407 ' CD1' ' HG3' ' A' ' 136' ' ' LYS . 2.3 mp -61.88 -56.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 142' ' ' GLU . 0.1 OUTLIER -39.82 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' LYS . 40.5 mt-10 -38.1 -46.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.09 70.96 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.3 t 62.08 143.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.032 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.2 99.38 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.63 14.16 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.98 141.87 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.1 p -112.58 153.83 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -169.93 158.76 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -178.06 164.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 -106.89 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 70.28 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.01 173.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.09 162.49 35.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 127.38 10.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.63 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.51 126.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.82 -179.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.573 ' CG ' ' CD1' ' A' ' 130' ' ' LEU . 3.2 pm0 -96.91 144.15 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.517 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.97 161.72 38.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.482 ' CG1' HD13 ' A' ' 133' ' ' ILE . 4.3 m -40.28 98.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -63.25 -30.1 71.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.65 171.3 9.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.93 -25.68 11.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.7 mt-10 -53.08 -59.74 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.493 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 14.4 mm-40 -47.04 -45.54 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.522 ' CD2' ' CZ3' ' A' ' 116' ' ' TRP . 6.2 tp -65.61 -26.07 67.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLU . 33.9 m-20 -82.71 -17.1 45.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 4.3 mtt85 -74.09 -29.38 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.2 m -112.29 25.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -86.43 123.91 32.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.588 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 10.3 mt -82.36 161.32 22.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ARG . 26.4 p -135.6 139.7 44.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 6.8 ttp85 -35.47 -50.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -66.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 0.9 OUTLIER -46.15 -34.36 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 34' ' ' CYS . 69.2 mt -70.25 -58.05 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' CG ' HG23 ' A' ' 81' ' ' THR . 0.8 OUTLIER -47.35 -23.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -52.28 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.588 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 9.7 m0 -68.48 -11.05 59.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -63.19 -14.07 44.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -108.75 -13.76 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.27 152.16 94.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -85.5 16.96 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' CE1' HG13 ' A' ' 43' ' ' VAL . 51.7 t80 -40.6 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -45.1 -47.28 12.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -54.0 -52.44 60.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' VAL . 74.9 m -62.13 -72.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 39' ' ' PHE . 35.3 m -38.58 -44.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.0 m -55.92 104.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.81 -27.9 5.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.8 m -80.37 159.51 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 19.0 m-85 -108.87 148.4 30.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.3 m -137.53 150.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 115.07 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.6 tp -103.89 150.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.21 104.33 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.5 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.12 -89.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.54 -119.59 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 8.9 p-10 -178.32 156.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 3.4 m80 -173.21 -172.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -52.24 178.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m 49.27 -177.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.04 165.77 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.22 31.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.5 ' CG1' HG12 ' A' ' 52' ' ' ILE . 9.8 p -106.11 145.75 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.413 ' N ' HG22 ' A' ' 60' ' ' VAL . 34.9 m-85 -151.56 149.9 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 9.4 mmt180 -129.1 139.3 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 108' ' ' PHE . 74.6 t -83.94 122.4 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -131.55 160.04 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -122.79 131.03 53.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.3 mt -64.51 106.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 p -94.05 9.9 35.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.2 -177.49 25.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.12 121.44 51.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -98.35 177.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.46 147.78 45.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.5 p -121.38 176.73 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.51 -29.76 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -96.28 146.53 24.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 22.9 t -113.45 147.36 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.0 p90 -135.16 164.32 27.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -78.76 150.29 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.0 tp -151.46 88.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.6 19.02 70.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.45 -37.99 3.12 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' LEU . 15.0 t -84.67 146.78 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.473 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.6 OUTLIER -105.46 111.72 24.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 t -113.64 166.11 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.469 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 7.5 p-10 -140.84 40.98 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -112.81 119.48 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -87.76 116.91 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.437 HD11 ' CG2' ' A' ' 103' ' ' VAL . 7.1 mt -70.36 114.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -77.92 98.79 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 9.2 mt -109.84 135.4 50.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -119.49 129.23 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -115.1 117.79 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 61.98 -122.69 29.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -103.68 21.58 15.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.08 137.22 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.65 155.53 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.515 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 7.0 mtt-85 -145.11 177.33 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 96' ' ' ARG . 48.5 t -156.49 100.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.579 ' CD2' HG12 ' A' ' 50' ' ' ILE . 54.9 m-85 -103.87 -168.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 99.5 mtt180 -119.41 160.43 22.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.495 ' O ' ' CD ' ' A' ' 27' ' ' ARG . 8.2 mp -62.18 -26.01 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.7 pt-20 -69.25 -17.8 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 20.5 m-30 -103.65 -9.81 18.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 30' ' ' LEU . 8.7 t -74.79 94.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 172.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -133.05 37.04 3.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.98 175.14 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.441 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 7.3 pt-20 -89.75 156.67 18.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.532 ' CE1' HG23 ' A' ' 63' ' ' VAL . 7.0 m-85 -85.23 78.7 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' PHE . 49.8 p -38.47 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.56 -26.74 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -73.57 -69.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -59.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.1 t80 -39.58 -51.78 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 mmt -69.86 -38.05 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -38.49 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 4.8 t90 -71.88 -43.33 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 108.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' HD21 ' A' ' 127' ' ' LEU . 1.0 OUTLIER -51.14 -43.34 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -45.88 -49.9 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.67 -41.88 74.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.478 ' HE1' ' CD2' ' A' ' 127' ' ' LEU . 23.7 mmm -70.62 -40.19 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.77 -33.54 68.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -73.19 -41.54 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.37 3.12 25.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.53 37.9 77.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.26 -175.63 3.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.475 ' O ' ' CE ' ' A' ' 120' ' ' MET . 10.9 pt20 -125.29 149.7 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.614 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -93.57 -172.83 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.614 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.5 Cg_endo -75.0 122.17 7.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 132' ' ' GLU . 10.5 p -62.37 130.95 47.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.573 ' CD1' ' CG ' ' A' ' 12' ' ' GLN . 47.6 mt -44.42 -30.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -45.08 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -65.98 -37.54 86.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.482 HD13 ' CG1' ' A' ' 14' ' ' VAL . 2.1 mm -55.6 -61.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -51.75 -57.2 9.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -50.69 -51.46 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.0 tppt? -57.55 -54.43 46.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 27.7 tt0 -38.66 -63.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.404 HD22 ' NZ ' ' A' ' 141' ' ' LYS . 4.3 mm? -41.45 -51.8 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.92 -42.09 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.439 ' N ' ' O ' ' A' ' 137' ' ' GLU . 3.0 mp -67.83 -51.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -51.4 -60.77 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.77 -55.71 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.31 -60.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.9 t -163.81 104.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 138.54 82.13 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.02 133.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.043 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.2 p -162.12 124.78 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.42 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m 58.6 171.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.45 137.34 2.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 155.13 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.06 151.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.36 83.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 161.1 39.3 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.61 152.74 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.429 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 0.3 OUTLIER -162.97 -163.75 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.414 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 0.2 OUTLIER -100.69 131.51 23.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.608 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.99 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.98 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.414 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -60.9 -28.7 69.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.18 170.47 11.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.01 -9.75 20.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.5 mt-10 -68.56 -57.89 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 32.9 mm-40 -46.52 -43.93 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD11 ' CE2' ' A' ' 47' ' ' PHE . 6.5 tp -64.58 -31.42 72.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.8 m-20 -74.06 -17.19 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.99 -26.65 54.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' HD11 ' A' ' 133' ' ' ILE . 15.7 m -115.18 15.81 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 39.2 ttp85 -81.82 99.6 9.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.4 mt -54.57 160.89 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.0 t -134.28 132.63 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.1 ttp180 -36.32 -42.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -57.07 -62.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -48.59 -48.12 39.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 34' ' ' CYS . 10.8 mt -57.99 -55.8 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.407 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -46.75 -23.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -92.59 -51.17 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.562 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 7.1 m0 -68.66 -8.93 46.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 p -61.11 -15.83 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -113.49 -13.39 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 9.2 mmt -60.68 157.9 35.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -88.08 30.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 43' ' ' VAL . 15.4 t80 -51.19 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -52.13 -41.97 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -45.47 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' VAL . 84.7 m -72.88 -71.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 39' ' ' PHE . 5.0 m -35.7 -36.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.5 m -66.38 107.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.37 -21.22 7.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 51.5 m -85.72 174.9 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.591 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 15.6 m-85 -120.89 141.17 50.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 33.0 m -132.27 140.36 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 123.13 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 98' ' ' PHE . 5.9 tp -100.42 147.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -113.68 70.11 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.529 HD12 ' CG1' ' A' ' 60' ' ' VAL . 0.3 OUTLIER -33.96 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 152.09 -146.69 15.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' O ' ' CB ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -140.34 -75.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER 86.06 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.34 -178.92 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -49.74 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.98 148.09 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.35 14.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.529 ' CG1' HD12 ' A' ' 52' ' ' ILE . 10.9 t -141.46 120.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -142.8 153.18 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -142.29 150.29 40.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -90.25 145.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.71 145.53 25.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.0 tt0 -109.26 132.26 54.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.445 HD13 ' CG1' ' A' ' 48' ' ' VAL . 40.2 mt -65.17 131.86 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.429 HG23 ' CB ' ' A' ' 90' ' ' ARG . 5.0 p -111.79 -7.66 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.72 -170.57 39.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 67.0 t -132.82 122.22 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.3 m -98.52 179.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -130.23 117.49 19.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.4 p -85.96 174.25 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.69 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -97.17 154.69 17.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 13.4 t -111.14 144.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 50.7 p90 -132.09 159.34 39.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -77.85 150.67 34.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 81' ' ' THR . 13.8 tp -148.93 90.06 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.62 14.68 60.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.98 -40.71 1.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.5 t -83.86 140.91 31.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.1 mtt180 -101.8 113.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.404 HG23 ' CE1' ' A' ' 76' ' ' TYR . 12.5 t -112.68 164.29 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 5.7 p-10 -132.53 38.51 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -120.66 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -103.83 124.61 8.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 97' ' ' VAL . 6.0 mt -76.23 111.97 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.434 ' HA ' ' CB ' ' A' ' 97' ' ' VAL . 2.0 tt0 -76.31 109.7 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 96' ' ' ARG . 14.8 mt -113.84 123.5 49.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' CB ' HG23 ' A' ' 67' ' ' THR . 9.5 ttm180 -108.21 116.9 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' ASP . 74.7 t60 -101.47 120.98 41.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.504 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 47.76 -123.9 9.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.81 16.53 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -120.22 138.04 53.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -105.31 141.66 36.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.6 mtt-85 -147.12 172.81 13.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.434 ' CB ' ' HA ' ' A' ' 88' ' ' GLN . 3.1 p -160.36 100.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 27.6 m-85 -99.4 -175.08 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 32.8 mtt180 -101.46 165.52 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 78' ' ' LEU . 7.6 mp -66.11 -29.81 70.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.4 pt-20 -62.18 -30.63 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.3 m-30 -91.36 -6.18 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.2 t -80.92 96.31 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -54.62 178.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -138.99 52.5 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 3.9 tt0 -117.49 179.5 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -103.93 139.21 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.52 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 13.6 m-85 -60.2 120.15 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.52 150.44 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -39.81 -64.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -39.29 -70.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 55.9 mm-40 -44.53 -63.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 25.3 t80 -37.54 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.02 -33.88 76.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 60.8 mmtt -64.6 -46.45 82.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -65.07 -43.56 91.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' CG ' HD22 ' A' ' 127' ' ' LEU . 1.4 mtpp -49.13 -46.95 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.15 -53.2 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.42 66.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.491 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 31.3 mmm -65.12 -40.88 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.66 -37.35 79.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -42.72 69.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.63 -0.28 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.44 35.63 73.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -91.58 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 6.0 mt-30 -127.21 146.1 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.571 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -92.3 -176.18 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.591 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -74.98 127.66 10.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.1 p -73.38 136.79 44.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.438 ' CD2' ' HG3' ' A' ' 19' ' ' GLU . 10.1 mt -41.04 -39.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -61.32 -50.52 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.2 mt-10 -60.82 -37.94 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.463 HD11 ' CG2' ' A' ' 23' ' ' VAL . 2.1 mm -58.04 -54.14 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.91 -56.72 16.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.66 -49.28 38.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.424 ' CD ' HD11 ' A' ' 140' ' ' ILE . 16.0 tppt? -65.71 -50.06 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 20.9 tt0 -44.05 -60.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -46.46 -47.04 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.5 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.424 HD11 ' CD ' ' A' ' 136' ' ' LYS . 2.3 mp -65.72 -60.27 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.477 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -41.98 -57.3 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -45.11 -54.17 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.6 t -155.41 149.11 25.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 152.27 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.73 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.2 p -170.47 135.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.36 105.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.56 170.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.97 148.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 115.7 1.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.35 162.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -172.31 170.39 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.08 159.44 29.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.03 28.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 133.91 17.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -154.87 80.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -163.59 173.89 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.542 ' HG2' ' CD2' ' A' ' 130' ' ' LEU . 1.0 OUTLIER -117.18 146.02 37.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.498 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 152.21 40.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.495 ' CG1' ' CD1' ' A' ' 133' ' ' ILE . 5.0 m -35.89 135.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.15 -2.31 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -147.64 163.33 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 -5.19 16.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 4.7 mt-10 -73.3 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.546 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 34.0 mm-40 -49.13 -39.65 29.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.01 -23.55 61.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' OD1' ' NH1' ' A' ' 24' ' ' ARG . 42.6 m-20 -81.85 -17.37 47.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 28.0 mtp85 -74.14 -40.09 62.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 133' ' ' ILE . 14.1 m -103.82 19.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -80.24 133.45 36.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.2 mt -87.15 157.26 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 48.0 t -133.09 138.24 46.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 8.1 ttp85 -37.8 -45.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.47 -64.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.59 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 7.1 mtmt -47.79 -43.55 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 34' ' ' CYS . 74.5 mt -62.41 -47.26 84.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -23.95 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -50.68 5.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.571 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.56 -17.51 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t -66.51 -16.14 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -108.01 7.82 28.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -107.71 159.99 28.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -81.29 47.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -82.78 -71.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -52.44 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -55.48 -49.06 73.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.7 m -69.39 -71.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 4.8 m -35.77 -38.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.4 m -64.15 109.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.31 -18.87 13.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 98.1 m -80.62 176.98 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 34.5 m-85 -128.8 129.76 46.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.466 ' CG2' HD12 ' A' ' 89' ' ' LEU . 34.2 m -122.88 152.12 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.34 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 98' ' ' PHE . 5.8 tp -99.18 155.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -118.85 75.41 0.3 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.5 HD11 ' CG1' ' A' ' 60' ' ' VAL . 0.2 OUTLIER -35.98 -43.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 0.81 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 165.78 -137.68 4.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 179.29 158.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.258 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.02 -176.43 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.67 77.97 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.6 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -135.13 160.23 69.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' C ' HG21 ' A' ' 60' ' ' VAL . 18.2 Cg_endo -75.03 173.94 13.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.5 ' CG1' HD11 ' A' ' 52' ' ' ILE . 18.4 t -141.32 126.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 27.9 m-85 -140.78 154.64 46.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' HG2' ' C ' ' A' ' 61' ' ' TYR . 1.8 mmm-85 -135.29 153.73 51.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.546 HG21 ' CE1' ' A' ' 108' ' ' PHE . 97.1 t -107.1 121.82 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -126.2 160.53 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 25.3 tt0 -116.78 125.82 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.431 HD12 ' CG1' ' A' ' 48' ' ' VAL . 41.1 mt -62.92 123.31 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 p -104.4 -11.81 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.58 -169.51 42.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.31 123.12 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 86' ' ' GLY . 25.7 m -98.89 -179.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.2 pt-20 -134.48 118.63 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -89.5 -176.26 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.07 -28.39 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -93.9 150.57 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 31.1 t -117.56 149.99 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.533 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 41.5 p90 -142.0 158.81 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.23 148.81 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 81' ' ' THR . 14.2 tp -151.54 88.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.45 21.55 70.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.95 -41.52 2.08 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 78' ' ' LEU . 14.4 t -84.45 145.17 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mtm-85 -102.21 113.0 25.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.42 HG21 ' CE1' ' A' ' 76' ' ' TYR . 14.1 t -113.23 168.92 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.474 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 14.2 p-10 -146.32 32.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -101.93 123.5 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.447 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -91.91 105.01 3.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.04 115.63 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -77.81 96.52 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 48' ' ' VAL . 12.2 mt -97.91 160.07 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -139.66 125.6 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' ASP . 85.2 t60 -107.24 90.51 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.31 -110.56 3.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -106.24 21.8 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -130.71 130.35 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 21.5 tt0 -95.41 158.92 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtt180 -152.85 -179.51 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -149.68 106.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 50' ' ' ILE . 91.4 m-85 -110.83 -170.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 3.0 mmt85 -118.99 163.73 16.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.474 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -64.67 -36.08 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.9 pt-20 -54.87 -38.68 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.6 m-30 -80.72 -29.78 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 104' ' ' SER . 13.2 t -55.49 103.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -54.51 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -146.01 -45.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.2 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.459 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.3 mt-10 -64.94 170.34 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.546 ' CE1' HG21 ' A' ' 63' ' ' VAL . 2.1 m-85 -84.55 109.44 17.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.0 p -62.51 133.72 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -40.1 -36.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.6 m -68.74 -69.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -38.11 -62.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -44.01 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.423 ' HE3' ' NZ ' ' A' ' 117' ' ' LYS . 3.5 mmt -48.28 -46.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -50.08 -43.89 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 3.0 t90 -66.98 -48.98 66.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.446 ' CG ' HD23 ' A' ' 127' ' ' LEU . 6.0 mtpt -43.96 -45.96 8.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.39 -53.14 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.76 -44.43 63.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.487 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 33.1 mmm -66.88 -41.75 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.31 -36.4 76.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -37.93 63.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.97 1.54 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.29 30.26 61.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.79 178.63 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.6 mm-40 -116.98 150.33 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.604 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -96.52 -173.42 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 131.3 14.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -76.44 138.18 40.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.546 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 1.9 mm? -38.58 -41.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.3 -54.17 47.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.6 mt-10 -56.19 -35.38 67.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.495 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 1.8 mm -62.06 -59.69 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.05 -56.62 18.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -48.64 -48.64 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 12.1 tppt? -64.42 -45.84 85.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.2 tt0 -44.86 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -41.1 -52.77 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.87 -44.1 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.429 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.8 mp -65.35 -57.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -42.23 -59.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.79 -60.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.5 165.26 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -76.88 149.76 36.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.76 9.49 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 79.9 p -162.27 166.41 25.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 t -149.05 166.88 27.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.74 126.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.72 143.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 -109.64 0.37 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m 63.09 143.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.04 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -178.83 156.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.32 147.72 15.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.8 14.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.02 126.12 9.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 9' ' ' PRO . 1.1 mttm -157.91 106.2 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 -162.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' O ' ' HA ' ' A' ' 129' ' ' THR . 4.6 pt20 -120.58 156.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.497 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 159.7 40.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 133' ' ' ILE . 3.6 m -36.92 114.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -32.1 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.66 170.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.544 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -12.71 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -64.76 -59.62 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 43.1 mm-40 -42.93 -47.56 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' A' ' 47' ' ' PHE . 11.5 tp -63.55 -39.35 94.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.1 m-20 -60.48 -28.06 68.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 13.6 mtp85 -64.36 -49.38 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.07 25.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 22.9 ttp85 -84.93 82.37 8.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.57 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 7.1 mt -41.21 161.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ARG . 78.6 p -131.15 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -36.75 -49.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -61.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 5.9 mtmm -47.95 -46.6 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.481 ' CD2' HD13 ' A' ' 25' ' ' LEU . 15.6 mt -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -27.2 67.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.8 mtt180 -90.69 -49.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.57 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 12.1 m0 -67.86 -16.64 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.58 -15.68 61.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 3.5 p-80 -110.55 4.71 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.481 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.1 mmm -99.29 160.52 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.766 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -80.75 47.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -81.01 -73.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.15 -47.09 62.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -48.98 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.514 HG22 ' CZ3' ' A' ' 33' ' ' TRP . 52.2 m -69.3 -72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 6.5 m -36.36 -37.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -61.67 105.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.47 -21.39 7.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.78 167.2 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.605 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.8 m-85 -116.05 148.16 40.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 66' ' ' ILE . 28.0 m -129.88 150.2 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -94.36 107.48 19.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.568 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -100.52 153.68 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.19 105.06 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.493 ' CD1' HG21 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -47.58 -89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.16 -145.2 6.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -179.85 123.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.35 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.565 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -50.32 160.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.85 133.41 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp 63.9 160.79 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' A' ' 52' ' ' ILE . 14.4 p -149.62 147.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 40.1 m-85 -151.34 157.38 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.564 ' HD2' ' CE1' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -135.99 122.71 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 70.5 t -77.46 133.04 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -143.61 164.76 29.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 3.7 tt0 -120.33 133.83 55.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 ' CG2' HG21 ' A' ' 43' ' ' VAL . 35.0 mt -67.55 106.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 p -93.62 7.35 45.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.8 -176.79 29.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 53.4 t -128.24 124.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.4 m -99.4 -177.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 6.4 pt-20 -141.73 124.8 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -99.13 168.93 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.95 -33.82 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.7 tptm -95.1 148.5 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 22.5 t -110.57 144.6 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 30.0 p90 -126.78 156.35 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -70.03 145.79 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' THR . 15.6 tp -146.99 92.95 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.37 15.03 60.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.86 -37.72 3.01 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 78' ' ' LEU . 13.8 t -84.82 144.29 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -95.65 113.1 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.468 HG23 ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -112.81 167.76 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.458 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 6.2 p-10 -140.23 14.07 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -101.19 103.52 14.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.68 144.52 24.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 30' ' ' LEU . 15.0 mt -86.38 122.73 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.36 95.69 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.5 mt -98.64 141.55 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -126.36 116.56 21.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 62' ' ' ARG . 80.5 t60 -100.61 93.61 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.495 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 76.34 -126.97 8.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.07 14.61 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.76 134.64 54.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 35.2 tt0 -99.14 156.57 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' LEU . 37.2 mtt85 -151.8 -178.9 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.5 t -150.85 109.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 50' ' ' ILE . 69.0 m-85 -113.0 155.05 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 17.1 mtt180 -79.14 160.49 26.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.8 mp -68.33 -37.7 80.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 9.9 pt-20 -53.92 -29.03 40.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-30 -82.8 -30.66 28.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -55.85 115.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.42 174.7 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -114.18 -37.1 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.58 167.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' HA ' ' CD ' ' A' ' 24' ' ' ARG . 2.0 mt-10 -94.65 160.08 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -65.9 158.47 27.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 t -130.35 146.7 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -39.44 -53.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 m -43.19 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -46.4 -63.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.544 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.8 t80 -36.22 -52.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.55 -44.46 78.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -59.02 -42.12 89.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 5.1 t90 -68.65 -47.61 66.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.007 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' CG ' HD22 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -46.39 -43.31 16.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.71 -50.43 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.07 -36.59 63.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.486 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 23.5 mmm -74.78 -38.95 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.85 -32.58 67.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -73.89 -43.69 57.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.53 2.6 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 55.43 39.12 72.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.12 -174.0 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.486 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.9 mt-30 -126.44 149.04 49.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.623 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -92.23 -172.42 0.32 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.623 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.99 131.32 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -74.57 134.24 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 19' ' ' GLU . 3.5 mm? -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.99 -56.52 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' THR . 48.9 mm-40 -53.24 -39.83 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.4 mm -55.7 -60.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.45 -53.64 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -48.5 -47.85 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -65.21 -57.98 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.1 tp10 -41.12 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.3 -37.18 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -64.39 -42.68 96.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.0 mp -58.33 -45.76 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -57.57 12.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.33 -49.31 61.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.46 -59.14 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.56 117.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.97 82.61 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.43 42.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.96 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.04 164.14 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -165.36 161.72 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -161.69 168.32 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.92 166.97 39.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 p -174.79 150.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.71 147.65 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.58 82.62 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 141.16 26.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 173.18 14.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.93 126.82 46.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.77 -161.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.45 ' NE2' ' HG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -100.68 132.1 22.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.595 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.98 100.89 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.7 m 23.23 88.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.45 ' HG ' ' NE2' ' A' ' 12' ' ' GLN . 0.4 OUTLIER -59.31 -28.83 67.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.83 170.88 9.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.0 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.2 -55.75 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -49.07 -44.02 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.498 HD11 ' CD1' ' A' ' 47' ' ' PHE . 7.6 tp -65.41 -31.2 72.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.78 -25.2 62.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.3 mtp-105 -64.74 -46.49 82.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.31 23.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -78.85 104.4 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 43' ' ' VAL . 13.6 mt -66.5 164.15 17.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 p -133.17 138.03 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.0 ttp180 -39.26 -53.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 9.9 m80 -48.78 -64.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -43.65 -43.25 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 22.8 mt -66.14 -41.3 90.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -61.54 -26.55 68.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -91.26 -49.93 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.53 ' CZ3' HG22 ' A' ' 42' ' ' THR . 11.0 m0 -67.49 -16.98 64.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.75 -17.58 61.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 22.7 t60 -108.83 5.54 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.463 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 17.6 mmm -97.23 160.78 28.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -51.7 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.405 ' O ' ' OG1' ' A' ' 42' ' ' THR . 19.0 p90 -83.02 45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 58.4 t80 -74.54 -64.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.543 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -60.3 -45.04 94.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.26 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.53 HG22 ' CZ3' ' A' ' 33' ' ' TRP . 69.1 m -67.02 -72.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.543 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 33.1 m -36.96 -33.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.3 m -66.68 118.47 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.38 11.06 28.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.5 m -117.32 -172.74 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.583 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.1 m-85 -140.68 139.77 34.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.63 153.17 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.26 110.97 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.561 HG12 ' CD2' ' A' ' 98' ' ' PHE . 4.5 tp -100.15 151.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.57 87.55 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -43.65 -69.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' H ' ' CG1' ' A' ' 52' ' ' ILE . . . -135.51 -138.69 3.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 p30 170.64 139.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -164.4 -70.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.63 166.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -61.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -84.71 158.56 59.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.52 31.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 52' ' ' ILE . 1.9 m -106.35 148.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -154.5 141.63 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -131.98 139.8 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 46.4 t -67.95 144.41 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -146.1 123.66 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 33.9 tt0 -86.08 130.01 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.23 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -80.16 122.92 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 p -107.48 -14.2 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.94 -170.57 43.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 54.6 t -130.99 129.14 63.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.2 m -100.78 -177.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.7 pt-20 -141.89 119.77 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.7 p -89.25 170.33 10.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.28 -34.94 20.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.34 148.72 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 37.1 t -108.1 148.89 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 31.4 p90 -132.09 157.49 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.44 143.9 49.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 81' ' ' THR . 20.3 tp -141.94 85.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.06 15.63 69.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.9 -40.95 1.84 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 78' ' ' LEU . 14.7 t -84.53 146.13 27.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.2 mtt180 -100.41 112.34 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.6 t -114.0 167.43 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 7.7 p-10 -143.87 42.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -129.12 92.76 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.92 151.82 49.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD1' HD12 ' A' ' 30' ' ' LEU . 13.7 mt -88.74 119.98 29.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -77.85 95.62 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.464 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 22.8 mt -100.04 136.1 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.0 ttp180 -110.46 116.14 30.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -102.87 123.36 46.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.484 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.21 -105.82 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -116.09 -8.92 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 166.37 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.04 156.54 26.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 0.4 OUTLIER -141.52 -178.18 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 96' ' ' ARG . 18.0 t -157.33 110.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.561 ' CD2' HG12 ' A' ' 50' ' ' ILE . 87.6 m-85 -115.72 158.37 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.481 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 14.8 mtt-85 -82.47 162.96 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.4 mp -70.99 -19.33 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.6 pt-20 -74.58 -12.81 60.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.512 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-85 -110.96 17.57 20.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.12 98.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -67.15 171.31 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 104' ' ' SER . 6.4 m-20 -133.86 67.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -129.11 175.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.72 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.34 145.58 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.8 t -107.82 136.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -38.22 -40.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 63' ' ' VAL . 5.1 pt-20 -48.19 -44.84 33.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.0 t80 -53.68 -48.6 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 mmt -72.71 -37.27 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 t90 -69.82 -45.38 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' CG ' HD21 ' A' ' 127' ' ' LEU . 1.3 mtpp -48.81 -45.65 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.81 -45.47 74.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.477 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -66.42 -38.93 88.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.18 -37.32 72.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -37.84 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.76 32.18 78.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.484 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.64 -171.11 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.477 ' O ' ' CE ' ' A' ' 120' ' ' MET . 67.1 mt-30 -127.29 146.06 50.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.585 ' HB3' ' CD ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -91.32 -175.38 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.585 ' CD ' ' HB3' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 126.67 10.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.5 p -72.85 135.88 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 10.7 mt -41.23 -40.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -60.39 -43.47 96.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 1.4 mm -52.72 -56.81 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.6 -64.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -44.2 -57.61 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -49.23 -63.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.7 tp10 -38.4 -57.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -42.27 -43.74 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -56.24 -42.15 76.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.2 mp -61.34 -56.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.04 -63.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.42 -40.81 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.25 73.02 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.27 164.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 76.62 98.45 0.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 t 62.0 135.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.7 m -130.35 161.0 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -164.36 78.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m 64.02 167.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.945 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 145.91 6.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.06 160.38 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.84 168.23 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 108.04 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.42 13.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.05 143.6 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.05 -149.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -114.99 129.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.604 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.2 m 22.43 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -56.5 -30.82 63.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 ' CD1' ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -137.91 174.01 4.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.94 -6.26 17.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -71.0 -58.93 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' OE1' ' CD1' ' A' ' 16' ' ' LEU . 1.7 mt-10 -46.73 -46.78 20.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.524 HD12 ' CE2' ' A' ' 47' ' ' PHE . 10.1 tp -62.3 -27.25 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.0 m-20 -82.01 -25.01 35.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.6 mtp180 -68.65 -8.11 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 133' ' ' ILE . 16.7 m -134.56 30.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 23.2 ptt180 -86.18 111.71 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.581 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 4.8 mt -67.65 151.46 47.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ARG . 1.7 p -123.62 131.7 53.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 10.5 ttp-105 -35.32 -46.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -51.85 -61.55 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 8.7 mtmt -51.88 -41.02 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 68.8 mt -63.95 -44.68 92.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -30.52 70.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -85.53 -50.91 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.581 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 8.7 m0 -66.9 -16.74 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -65.64 -17.63 64.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 3.4 p80 -107.79 9.74 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.495 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -105.98 160.1 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -81.46 47.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -79.95 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -49.38 -46.31 47.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -48.66 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.523 HG21 ' CZ3' ' A' ' 33' ' ' TRP . 93.1 m -69.69 -72.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 4.9 m -37.03 -35.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.7 m -63.34 106.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.62 -18.91 9.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.3 m -82.88 168.15 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 30.7 m-85 -122.94 130.34 52.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.429 ' CG2' HD13 ' A' ' 89' ' ' LEU . 19.9 m -123.36 147.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 110.86 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.571 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.8 tp -101.02 150.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.71 121.13 5.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -69.83 -32.15 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 170.29 75.05 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' PRO . 17.2 p-10 -64.88 155.88 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -154.83 176.88 11.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -40.78 93.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -70.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 157.52 74.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.606 ' O ' ' O ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 -36.87 2.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.606 ' O ' ' O ' ' A' ' 59' ' ' PRO . 1.5 m 51.07 116.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.07 161.83 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HG3' ' CG2' ' A' ' 52' ' ' ILE . 10.5 mmt180 -142.17 126.34 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.504 HG23 ' CD1' ' A' ' 108' ' ' PHE . 76.0 t -73.01 127.01 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.479 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -132.48 158.42 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 11.8 tt0 -122.69 124.29 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 HG22 ' CD2' ' A' ' 87' ' ' LEU . 29.0 mt -63.32 114.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -99.99 4.05 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.59 -173.32 33.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.44 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 79.7 t -131.79 123.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 86' ' ' GLY . 17.7 m -98.69 -177.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -137.88 117.19 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 p -91.28 -177.31 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.39 -28.74 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 156.4 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 14.9 t -120.59 149.69 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 32.1 p90 -136.15 161.1 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -79.41 152.18 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 25.5 tp -148.31 72.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.51 30.65 59.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.62 -41.35 2.25 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 7.4 t -83.45 141.69 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mmt85 -106.17 113.58 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.582 HG22 ' CE1' ' A' ' 76' ' ' TYR . 12.9 t -112.94 168.61 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.435 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 6.1 p-10 -137.84 25.93 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -98.72 117.5 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 70' ' ' VAL . . . -89.82 110.13 3.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' CD2' HG22 ' A' ' 66' ' ' ILE . 6.1 mt -64.87 117.89 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -77.89 95.57 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 8.8 mt -99.93 129.22 45.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -108.98 134.03 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -124.34 132.8 53.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.57 -102.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -128.39 18.85 6.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.54 143.88 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.71 154.01 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.528 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 5.5 mtt-85 -144.41 176.29 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.88 105.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 50' ' ' ILE . 77.3 m-85 -111.21 164.01 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.583 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.24 145.89 25.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.1 mp -52.15 -33.36 39.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 5.8 pt-20 -56.5 -33.26 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.4 m-30 -85.69 -21.1 28.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.51 101.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.7 m -78.6 158.64 28.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -118.66 69.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.06 172.3 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.39 139.2 30.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.504 ' CD1' HG23 ' A' ' 63' ' ' VAL . 22.6 m-85 -67.16 127.65 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' GLU . 3.5 t -92.45 145.53 24.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 30.8 tt0 -36.57 -58.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -43.03 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -42.4 -63.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 21.1 t80 -36.89 -63.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -60.46 -41.39 94.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.72 -41.7 87.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.423 ' CZ3' HD22 ' A' ' 20' ' ' LEU . 4.0 t90 -70.24 -45.17 67.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.03 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.44 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -48.33 -44.82 34.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -44.25 -50.48 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.66 75.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -67.22 -40.17 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.07 -38.32 85.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -38.87 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.028 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.96 41.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.38 62.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -170.58 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.481 ' O ' ' CE ' ' A' ' 120' ' ' MET . 2.7 mm-40 -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.593 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.3 OUTLIER -90.45 -177.9 0.86 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -74.99 133.77 17.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.32 138.46 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 8.5 mt -43.97 -37.96 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.23 -44.1 97.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.5 mt-10 -68.3 -42.19 79.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.476 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -54.97 -48.46 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.56 -59.87 3.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -47.85 -51.12 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.2 tppt? -57.33 -61.15 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 140' ' ' ILE . 3.2 tp10 -42.7 -55.83 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.81 -36.54 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.68 -39.17 93.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.0 mp -62.51 -45.62 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -63.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -49.17 -51.58 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.45 -59.19 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.5 t -176.82 100.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.99 124.39 0.75 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 138.43 22.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.58 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 12.5 m -56.77 139.44 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -174.66 106.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.959 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -158.58 163.47 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.79 166.48 33.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.18 134.88 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.77 114.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.4 120.35 0.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 149.95 37.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 143.54 29.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -175.33 99.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -178.9 -175.32 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.6 tt0 -105.47 132.99 20.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.613 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -74.97 106.91 2.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.22 90.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -58.6 -30.11 66.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.54 171.31 8.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 71.7 mm-40 -67.52 -51.82 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 51.8 mm-40 -52.81 -37.77 60.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 47' ' ' PHE . 8.8 tp -73.42 -19.98 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.534 ' OD1' ' CD2' ' A' ' 108' ' ' PHE . 19.8 m-20 -85.4 -16.9 38.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 9.1 mtp-105 -69.5 -49.62 52.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.413 HG22 HD11 ' A' ' 133' ' ' ILE . 36.0 m -91.69 26.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.457 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.9 ttm-85 -81.14 103.69 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.589 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -67.19 155.62 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' ARG . 34.6 p -124.97 138.6 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -37.1 -56.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 94.3 m-70 -45.99 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -43.09 -48.7 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 34' ' ' CYS . 16.0 mt -59.16 -64.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -35.43 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -82.33 -51.65 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.589 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.5 m0 -68.05 -14.2 62.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.617 ' SG ' ' CZ ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -67.41 -10.13 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.66 4.17 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.454 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 37.1 mmm -97.75 160.63 28.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -84.26 45.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CZ ' ' SG ' ' A' ' 34' ' ' CYS . 12.8 t80 -79.1 -72.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -49.2 -53.67 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -56.17 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.567 HG21 ' CZ3' ' A' ' 33' ' ' TRP . 79.4 m -62.57 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.566 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.2 m -35.85 -43.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.8 m -54.59 106.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -25.26 7.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.6 m -76.89 169.37 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 21.0 m-85 -124.91 138.47 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.75 144.89 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -84.18 113.46 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.564 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -101.03 151.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.61 107.58 1.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.505 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.92 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.84 -119.83 1.93 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -174.09 114.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -79.52 -69.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 177.23 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -73.67 103.79 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp 63.84 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 HG23 ' CD1' ' A' ' 52' ' ' ILE . 12.1 p -145.73 141.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.26 140.22 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -123.52 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 51.9 t -75.24 133.27 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -139.32 154.45 47.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.551 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -123.12 133.23 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 ' CG2' HG23 ' A' ' 43' ' ' VAL . 44.1 mt -66.13 109.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -95.75 4.31 53.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.82 -164.71 32.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 52.2 t -142.28 122.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.733 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.2 m -98.78 -175.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.6 pt-20 -136.9 121.58 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 77.4 p -93.33 -179.77 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.66 -28.86 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -90.33 149.56 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 9.5 t -114.22 147.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 28.1 p90 -140.87 154.67 46.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 19.1 tt0 -70.91 147.94 48.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD2' HD23 ' A' ' 100' ' ' LEU . 8.2 tp -154.66 86.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.43 82.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.03 -40.83 2.29 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 78' ' ' LEU . 13.5 t -83.82 144.85 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.499 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mtt180 -110.15 111.38 22.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.0 t -114.27 141.3 47.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.403 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 2.1 p-10 -107.15 22.41 16.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 69' ' ' VAL . 2.0 mttp -88.23 162.87 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.26 121.6 2.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.3 mt -76.7 118.11 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.2 101.19 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 10.1 mt -109.99 125.7 53.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -111.34 135.3 52.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -117.99 92.3 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.493 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 81.53 -120.93 5.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -102.16 22.13 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 126.46 31.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -91.9 153.57 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.1 mtt-85 -143.15 179.98 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 5.1 t -153.16 107.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.0 m-85 -109.47 -170.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 49.3 mmt-85 -117.54 163.03 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 78' ' ' LEU . 4.7 mp -65.53 -37.58 87.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 10.9 pt-20 -55.55 -27.34 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.492 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.2 m-85 -102.79 14.68 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.45 96.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -91.84 157.06 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' GLN . 15.1 m-20 -91.53 -66.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER 37.29 -154.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.4 pt-20 -132.2 152.35 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.1 m-85 -84.08 100.03 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' GLU . 9.8 t -71.04 136.58 48.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' THR . 18.9 tt0 -36.44 -49.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -45.71 -72.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -44.07 -64.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 30.1 t80 -37.66 -46.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.92 -38.87 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 3.6 mmmt -63.21 -40.07 96.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 3.8 t90 -70.38 -45.51 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.442 ' CG ' HD21 ' A' ' 127' ' ' LEU . 1.3 mtpp -47.39 -46.28 25.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -42.97 -51.62 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.97 -44.54 70.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.469 ' HE1' ' CD2' ' A' ' 127' ' ' LEU . 28.5 mmm -67.58 -41.32 84.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.88 -34.86 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -39.07 63.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.75 4.64 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.91 37.24 57.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.9 -173.9 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.435 ' O ' ' CE ' ' A' ' 120' ' ' MET . 13.3 pt20 -126.39 145.2 50.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.57 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -92.12 -178.3 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 130.51 13.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.0 p -81.29 138.97 35.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -40.82 -30.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -67.59 -52.41 38.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -60.88 -42.34 97.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 23' ' ' VAL . 1.2 mm -53.96 -54.32 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -62.32 -59.64 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 10.9 pttt -47.15 -50.41 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.4 tppt? -57.43 -61.35 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.0 tp10 -43.5 -56.78 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -44.89 -32.17 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -68.58 -42.32 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.2 mp -60.74 -50.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -66.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' ALA . 13.0 mt-10 -48.63 -50.86 31.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 142' ' ' GLU . . . -39.5 -64.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.1 t -175.41 90.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -178.98 -179.74 48.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.34 18.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.6 t -167.97 130.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 14.2 p -171.33 80.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -171.22 150.88 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -146.69 -58.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.58 171.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -178.4 165.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.94 166.9 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.62 100.16 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -166.23 94.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 -174.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.502 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 0.6 OUTLIER -112.59 149.27 40.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 156.64 42.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.449 ' CG2' ' HD2' ' A' ' 128' ' ' PRO . 11.2 m -45.89 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.455 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -81.02 -22.98 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -130.96 167.53 21.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.514 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.01 -8.56 20.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.8 mt-10 -68.18 -61.83 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HG2' ' CD1' ' A' ' 16' ' ' LEU . 80.2 mm-40 -48.44 -41.31 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD13 ' CG ' ' A' ' 47' ' ' PHE . 9.0 tp -68.54 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' GLU . 6.3 m-20 -79.11 -13.77 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -78.9 -6.34 55.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG2' HD13 ' A' ' 133' ' ' ILE . 3.1 m -132.01 17.81 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.1 ptt85 -73.69 116.56 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD23 ' CZ3' ' A' ' 33' ' ' TRP . 7.2 mt -76.82 156.03 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ARG . 84.5 p -119.66 134.7 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' CZ ' ' CB ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -37.83 -55.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -46.84 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 16.1 mttp -42.8 -43.75 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' CYS . 30.4 mt -62.81 -50.76 69.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 1.5 tt0 -56.94 -37.15 71.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -50.71 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' A' ' 25' ' ' LEU . 10.5 m0 -67.72 -15.81 63.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.537 ' SG ' ' CE2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -64.99 -11.85 43.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 108.281 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -114.17 5.43 15.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.481 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.1 mmm -100.72 160.38 26.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' O ' ' OG1' ' A' ' 42' ' ' THR . 19.7 p90 -81.54 47.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' CE2' ' SG ' ' A' ' 34' ' ' CYS . 10.9 t80 -82.76 -72.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -47.37 -55.06 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -55.92 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.493 HG23 ' CZ3' ' A' ' 33' ' ' TRP . 64.3 m -59.23 -74.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.525 HG11 ' CD1' ' A' ' 39' ' ' PHE . 13.8 m -39.28 -40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.536 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 8.4 m -58.94 106.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.29 -10.37 9.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.7 m -94.07 170.36 9.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 30.5 m-85 -123.44 128.13 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.414 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 32.8 m -120.14 153.01 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.32 111.59 23.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.556 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -100.44 150.22 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.23 105.33 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.51 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -50.11 -87.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.4 -80.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -161.46 176.44 11.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' SER . 28.6 t-80 -151.87 55.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.641 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.13 -72.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 91.4 p -122.63 155.54 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.26 160.29 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.95 2.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.51 ' CG1' HG12 ' A' ' 52' ' ' ILE . 9.4 p -150.73 144.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -153.02 142.93 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.501 ' CG ' ' CD1' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -127.05 127.82 45.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG23 ' CE1' ' A' ' 108' ' ' PHE . 71.7 t -67.62 129.11 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -139.72 148.63 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 20.0 tt0 -113.66 131.73 56.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 38.7 mt -63.07 116.44 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.1 p -96.31 -8.42 32.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.33 -171.95 39.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 55.6 t -130.5 121.06 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 ' CG2' ' A' ' 97' ' ' VAL . 21.3 m -98.33 -176.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.2 pt-20 -137.54 118.11 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.5 p -88.62 171.96 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.91 -32.83 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.82 157.21 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG11 ' CD ' ' A' ' 82' ' ' ARG . 26.6 t -117.56 147.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 36.3 p90 -133.57 157.72 44.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.6 155.04 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.479 ' CD2' ' HG3' ' A' ' 31' ' ' GLU . 9.0 tp -159.08 90.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.99 13.03 63.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 -34.61 3.99 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 1.7 t -84.22 151.7 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' CD ' HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -107.41 113.28 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.574 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.1 t -111.82 165.31 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.429 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 2.4 p-10 -135.99 11.6 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -93.48 129.08 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -100.21 116.54 5.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.09 112.28 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.443 ' HA ' ' CB ' ' A' ' 97' ' ' VAL . 2.2 tt0 -77.26 110.2 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 96' ' ' ARG . 10.1 mt -118.73 140.64 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.17 156.88 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -134.87 99.86 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.53 -120.89 16.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -93.67 19.11 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.06 168.11 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.13 149.28 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 15.0 mtt85 -153.08 -179.84 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.447 ' CG2' HG21 ' A' ' 70' ' ' VAL . 2.8 p -164.51 107.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.564 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 16.2 m-85 -103.71 -167.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.489 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 6.7 mtt180 -108.61 168.5 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 5.6 mp -66.48 -35.46 80.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.7 pt-20 -57.73 -39.8 78.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.0 m-30 -79.68 -17.77 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 30' ' ' LEU . 20.4 t -72.85 127.27 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.4 m -103.12 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -132.0 76.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.98 167.51 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.22 119.22 21.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.454 ' CE1' HG23 ' A' ' 63' ' ' VAL . 7.7 m-85 -49.02 122.88 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.3 t -83.75 158.35 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.34 -58.69 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -47.49 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.514 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 38.2 t80 -34.74 -58.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.91 -42.84 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 112' ' ' GLU . 36.8 mmtt -55.68 -38.85 70.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.74 -45.24 68.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.453 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -50.39 -42.45 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -45.85 -53.02 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.15 -40.59 67.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.507 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 30.4 mmm -71.28 -37.8 71.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 117' ' ' LYS . 3.9 m-85 -70.34 -33.71 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -77.86 -45.06 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.411 ' HB2' ' SD ' ' A' ' 125' ' ' MET . . . -72.21 -10.83 60.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.72 8.54 72.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.411 ' SD ' ' HB2' ' A' ' 123' ' ' ALA . 27.0 mtp -77.32 149.97 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.0 pt20 -90.84 157.63 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.617 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -96.27 -172.78 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.02 130.2 13.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.0 OUTLIER -80.46 138.68 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.502 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 1.5 mm? -41.46 -30.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -51.86 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.3 mt-10 -62.65 -41.36 99.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.453 HD13 ' CG2' ' A' ' 23' ' ' VAL . 1.1 mm -57.56 -52.75 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.82 -59.74 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -48.81 -49.9 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.6 tppt? -56.69 -58.92 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.0 OUTLIER -40.43 -61.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -40.99 -45.98 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -43.76 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.5 mp -59.85 -54.6 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.13 -64.99 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -41.8 -36.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -73.79 60.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.7 t -176.75 -55.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 152.35 147.36 4.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.23 42.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.7 m 57.36 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 30.0 t -136.16 83.82 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m 58.3 103.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -167.89 153.11 6.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.89 164.12 12.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.16 167.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.6 161.74 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.57 111.96 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.41 13.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.48 87.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.1 -172.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.8 tt0 -101.87 132.59 21.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.6 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.3 Cg_endo -75.06 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.6 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.3 m 24.04 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -33.54 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.92 173.49 5.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.526 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.02 -8.5 20.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.5 mt-10 -70.02 -53.89 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 57.9 mm-40 -50.08 -35.52 25.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 tp -73.75 -24.15 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.7 m-20 -79.61 -19.39 49.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.08 -34.01 65.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 133' ' ' ILE . 20.3 m -111.04 19.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 28.3 ttp85 -81.18 99.32 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.567 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.1 mt -53.43 158.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' ARG . 95.5 p -129.4 128.7 43.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 3.7 ttp-105 -35.83 -38.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.406 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 14.1 m170 -63.03 -58.95 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 8.1 mtmm -51.67 -39.22 57.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' CYS . 20.5 mt -64.59 -55.82 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.41 -23.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 28' ' ' HIS . 1.9 mtt-85 -92.0 -50.71 5.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.567 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 7.7 m0 -68.87 -9.55 52.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -59.65 -16.31 25.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -18.34 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 9.1 mmt -56.4 152.77 22.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.1 p90 -83.75 12.72 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CD2' ' HE3' ' A' ' 85' ' ' LYS . 38.9 t80 -35.39 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -46.31 -46.22 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -54.0 -49.93 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 43' ' ' VAL . 20.3 m -67.65 -71.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 5.3 m -37.44 -35.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -66.58 111.04 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.82 -6.41 24.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 9.2 m -93.13 -177.09 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 38.2 m-85 -135.12 135.56 41.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 9.2 m -134.06 155.23 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 120.12 30.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.458 HD13 ' CB ' ' A' ' 98' ' ' PHE . 5.9 tp -101.77 154.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 53' ' ' GLY . . . -113.67 85.3 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.484 ' CD1' HG21 ' A' ' 60' ' ' VAL . 38.7 pt -46.57 -25.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 0.724 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 51' ' ' GLY . . . -177.86 -144.25 5.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -160.68 91.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -83.83 150.83 25.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' LYS . 3.2 t-20 -58.19 169.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t 68.33 -67.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -136.81 145.54 51.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.69 38.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 52' ' ' ILE . 11.5 p -103.46 138.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.17 137.7 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' HG3' ' CG2' ' A' ' 52' ' ' ILE . 2.8 mtt180 -135.41 126.95 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.575 ' CG2' ' CE1' ' A' ' 108' ' ' PHE . 91.3 t -58.78 143.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.446 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -144.07 152.17 40.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.85 128.78 56.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 29.6 mt -73.29 110.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 18.2 p -90.99 -9.17 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.31 -165.06 38.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.1 124.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.5 m -98.54 -177.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.4 pt-20 -134.57 116.49 15.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -84.22 166.86 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.57 -42.17 18.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -110.09 139.8 44.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.513 ' CG1' ' HB3' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -87.51 153.12 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 10.0 p90 -120.8 173.87 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -83.67 135.85 34.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 100' ' ' LEU . 31.3 tp -127.0 59.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.75 -30.56 4.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.95 -44.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -84.92 144.58 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 0.5 OUTLIER -103.27 111.3 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 76' ' ' TYR . 10.2 t -117.4 143.67 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.513 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.3 p-10 -105.63 32.18 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -101.02 145.68 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.19 116.92 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.6 mt -70.9 115.33 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -79.22 95.54 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 5.2 mt -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 4.2 ttt85 -121.12 155.42 34.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -149.95 115.5 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 63.56 -105.2 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -124.8 10.61 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.57 155.11 28.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 96' ' ' ARG . 9.3 tt0 -108.18 155.16 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 42.4 mtt85 -143.08 175.53 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 t -147.26 105.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 85.6 m-85 -110.47 -171.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.579 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 4.9 mmt85 -121.86 160.66 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 78' ' ' LEU . 9.1 mp -61.06 -33.18 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.0 pt-20 -61.61 -24.48 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.23 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.7 m-30 -98.72 -1.97 39.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.0 t -86.27 91.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 163.78 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 106' ' ' GLN . 11.2 p30 -112.86 -160.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 11.8 tt0 78.36 166.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.415 ' HB3' ' ND2' ' A' ' 21' ' ' ASN . 2.3 mt-10 -78.37 142.48 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CE1' ' CG2' ' A' ' 63' ' ' VAL . 3.1 m-85 -49.9 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.2 p -125.72 137.15 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -47.76 -29.25 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t -73.26 -69.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -41.44 -46.55 3.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.526 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.5 t80 -50.94 -49.34 60.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.4 mmt -71.83 -40.45 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 t90 -67.91 -46.69 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.28 -48.28 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -40.88 -52.44 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.59 -42.99 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.501 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 27.2 mmm -69.18 -40.12 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.29 -33.04 74.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -77.25 -42.91 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.78 -3.16 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.29 28.59 67.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -87.26 -172.16 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CE ' ' A' ' 120' ' ' MET . 5.7 mm-40 -126.77 148.49 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.576 ' HB3' ' HD2' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -92.04 -177.54 0.75 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.99 -29.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -68.69 -52.06 34.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.0 mm-40 -62.16 -38.55 89.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.492 HD12 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -59.76 -49.96 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.25 -60.28 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -49.07 -49.41 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.441 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.7 tppt? -59.84 -53.21 60.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 140' ' ' ILE . 36.7 tt0 -43.36 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -42.82 -46.61 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -41.34 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.5 mp -66.56 -49.78 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.83 -59.02 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -42.36 -58.26 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.06 3.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.42 100.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.32 101.44 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.3 t -156.0 172.64 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.61 -57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.95 171.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 61.95 157.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.35 110.7 0.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -178.94 154.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.55 154.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.39 17.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 145.31 31.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.47 96.3 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 2.7 m -173.4 -178.34 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.469 ' HB3' ' CD2' ' A' ' 130' ' ' LEU . 1.5 tt0 -107.48 132.41 21.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.63 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.92 110.38 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 19.66 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -32.93 63.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.44 173.05 6.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -8.92 20.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.4 mt-10 -68.79 -62.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 56.7 mm-40 -42.11 -45.76 4.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' CD2' ' CZ3' ' A' ' 116' ' ' TRP . 6.5 tp -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.2 m-20 -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -63.92 -29.77 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.416 ' CG1' ' HG2' ' A' ' 137' ' ' GLU . 25.3 m -115.65 28.58 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.41 103.35 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.564 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 9.3 mt -55.56 163.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 68.8 m -139.19 139.72 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 6.8 ttp85 -36.94 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 17.2 mttp -44.89 -36.92 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.51 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 91.1 mt -70.75 -46.09 63.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -25.15 66.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.84 -51.07 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.564 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 10.8 m0 -67.8 -16.42 64.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.46 -16.45 63.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -108.99 4.81 23.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.471 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.0 mmm -101.04 159.32 29.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -83.08 45.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 33' ' ' TRP . 58.9 t80 -79.74 -69.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -54.83 -45.23 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -49.1 73.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' THR . 45.6 m -69.43 -71.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 7.6 m -36.4 -34.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.2 m -68.05 108.69 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.84 -11.78 17.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.409 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.8 m -96.37 156.84 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.6 m-85 -98.74 156.06 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 17.0 m -145.3 146.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 113.66 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.577 HG12 ' CD2' ' A' ' 98' ' ' PHE . 4.8 tp -101.23 150.06 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.01 105.54 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.494 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -53.66 -100.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.34 111.79 0.55 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -84.91 151.18 24.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.769 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -68.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -167.13 -177.01 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.65 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.09 147.61 63.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 111.046 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' HG12 ' A' ' 52' ' ' ILE . 12.6 p -148.2 145.34 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -153.55 151.81 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -133.93 123.53 24.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.578 HG23 ' CE1' ' A' ' 108' ' ' PHE . 49.5 t -80.91 128.83 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -137.41 152.94 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.46 126.55 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.18 131.14 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 p -112.58 0.44 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.2 -171.19 35.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 77.5 t -134.02 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 m -99.32 -176.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.3 pt-20 -136.32 119.06 16.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -92.72 -172.03 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.28 -29.07 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -94.81 149.01 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.527 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 23.7 t -118.3 151.27 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 29.2 p90 -141.38 157.79 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.413 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 39.7 tt0 -69.97 151.55 45.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -152.71 92.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 62.66 16.39 55.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.91 -41.85 1.78 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.6 t -83.83 144.77 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mmm-85 -102.44 113.16 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -113.08 167.98 10.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 4.6 p-10 -140.13 14.77 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -84.62 123.0 29.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.26 106.63 3.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.0 mt -61.98 115.15 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -78.41 96.01 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 48' ' ' VAL . 6.3 mt -95.48 157.43 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.4 115.63 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' ASP . 48.2 t60 -100.68 106.15 17.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.579 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.67 -123.06 32.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.83 21.54 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.4 OUTLIER -128.85 131.77 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.16 152.77 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.459 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 11.5 mtt180 -150.19 -179.19 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 71.6 t -153.67 109.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 50' ' ' ILE . 73.5 m-85 -113.13 -169.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 26.5 mtt180 -115.11 168.38 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.4 mp -67.07 -37.21 83.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.2 pt-20 -54.19 -42.53 69.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.6 m-85 -77.5 -23.85 50.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.49 94.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -111.49 -33.79 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -48.55 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.18 159.38 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 63' ' ' VAL . 8.0 m-85 -65.1 142.72 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.9 t -117.79 156.07 28.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 111' ' ' SER . 40.2 tt0 -43.54 -66.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -38.2 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 115' ' ' LYS . 6.2 mm-40 -41.8 -65.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 31.9 t80 -38.05 -50.04 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.6 mmt -71.52 -36.69 71.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 112' ' ' GLU . 45.3 mmtt -62.41 -45.55 92.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.494 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -66.29 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.428 ' CG ' HD23 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -42.5 -48.0 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.48 -49.61 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.09 69.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 20.4 mmm -69.94 -40.33 75.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.46 -34.27 75.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -74.5 -42.18 59.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.11 -2.14 39.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.68 38.89 94.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.77 -173.9 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.513 ' O ' ' CE ' ' A' ' 120' ' ' MET . 68.1 mt-30 -126.24 149.1 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.573 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -93.77 -175.86 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.01 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.5 p -71.76 140.87 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -43.04 -36.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -45.29 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -65.92 -38.76 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.556 ' O ' ' HG3' ' A' ' 137' ' ' GLU . 1.3 mm -57.48 -70.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . 0.535 ' CA ' ' HG3' ' A' ' 137' ' ' GLU . 8.5 t-20 -36.13 -60.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -49.92 -44.26 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 133' ' ' ILE . 15.6 tppt? -63.16 -59.02 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 133' ' ' ILE . 3.3 mt-10 -33.58 -52.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -42.0 -62.63 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.8 t -40.01 -34.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 137' ' ' GLU . 4.8 mp -84.99 -51.92 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.511 ' HD2' ' CB ' ' A' ' 137' ' ' GLU . 1.3 mttp -48.7 -42.33 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -47.11 -56.74 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -48.95 -58.39 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.9 p -93.27 90.9 6.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -156.79 100.6 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -40.25 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.32 164.94 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.66 122.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.72 114.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -162.14 159.79 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 122.3 0.73 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -179.8 147.91 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 t -146.89 152.5 38.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.75 105.16 0.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.17 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.89 42.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.66 22.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.551 1.816 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.21 80.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 129' ' ' THR . 4.3 t -159.26 -169.73 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.504 ' O ' ' CD2' ' A' ' 130' ' ' LEU . 2.1 tt0 -110.79 132.67 21.5 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.612 ' O ' ' C ' ' A' ' 14' ' ' VAL . 18.0 Cg_endo -75.04 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 22.97 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -34.34 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -135.92 173.67 5.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.02 -17.92 19.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -61.98 -49.42 76.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 130' ' ' LEU . 34.6 mm-40 -50.75 -40.86 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.7 tp -68.41 -21.44 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 2.1 m-20 -84.03 -10.14 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 11.2 mtp180 -87.16 1.14 53.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' ' 133' ' ' ILE . 8.4 m -147.85 20.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -81.46 82.58 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 33' ' ' TRP . 7.2 mt -38.39 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' ARG . 32.3 t -127.59 134.47 49.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -37.32 -44.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -60.89 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -50.54 -44.32 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 25' ' ' LEU . 25.1 mt -61.46 -44.19 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -30.68 69.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.2 mtt180 -85.14 -49.68 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 25' ' ' LEU . 12.9 m0 -68.01 -14.89 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.05 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -65.76 -18.07 65.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 4.4 p-80 -107.49 5.04 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 mmm -100.56 159.71 28.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -82.62 46.04 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.414 ' CD2' ' HE3' ' A' ' 85' ' ' LYS . 57.1 t80 -79.05 -72.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -54.14 -45.43 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.23 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 136' ' ' LYS . 78.1 m -70.16 -72.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 5.0 m -35.51 -38.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.5 m -62.41 110.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.02 -4.03 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 1.6 m -95.23 179.55 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.7 m-85 -130.31 140.26 50.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.55 146.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -85.84 112.69 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.457 HG12 ' CG ' ' A' ' 98' ' ' PHE . 6.5 tp -102.33 148.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.58 103.27 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.528 HG12 ' CG1' ' A' ' 60' ' ' VAL . 0.0 OUTLIER -45.72 -88.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASN . . . -112.19 -143.69 9.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 2.2 t-20 161.59 112.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.31 114.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 65.77 144.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m 58.02 169.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.87 163.22 0.18 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.68 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.528 ' CG1' HG12 ' A' ' 52' ' ' ILE . 7.2 p -140.29 145.08 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 49' ' ' ARG . 26.6 m-85 -149.72 149.56 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.42 ' CG ' ' CD1' ' A' ' 52' ' ' ILE . 7.2 mmp_? -132.98 124.32 27.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.521 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 38.3 t -64.09 126.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -131.46 149.95 52.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 12.9 tt0 -109.93 130.13 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 4.4 mt -64.68 130.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.408 HG23 ' CB ' ' A' ' 90' ' ' ARG . 6.9 p -113.33 -15.02 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.96 -169.23 41.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 73.0 t -133.97 121.09 37.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.8 m -98.63 174.69 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.87 149.59 41.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -124.47 179.23 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.23 -29.91 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 82' ' ' ARG . 17.6 t -116.16 148.22 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE2' ' CD ' ' A' ' 99' ' ' ARG . 37.5 p90 -137.29 162.16 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -77.07 148.05 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 81' ' ' THR . 21.0 tp -147.05 78.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.37 23.03 78.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.58 -41.27 2.11 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.4 t -84.13 144.39 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.483 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.4 mtt180 -104.95 112.8 26.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.413 HG22 ' CE1' ' A' ' 76' ' ' TYR . 9.8 t -114.37 154.51 27.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 4.7 p-10 -129.25 36.47 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 25.5 mtmm -111.08 124.99 53.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.18 117.67 5.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.13 111.95 10.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.486 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 2.1 tt0 -75.84 111.09 10.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.6 mt -115.53 124.29 50.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.408 ' CB ' HG23 ' A' ' 67' ' ' THR . 23.0 ttp180 -115.3 126.98 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.495 ' NE2' ' CB ' ' A' ' 119' ' ' ALA . 19.9 t-160 -120.83 124.43 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 51.38 -133.58 34.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -90.68 19.83 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -127.34 124.78 39.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 149.57 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -159.06 -177.2 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.486 ' HB ' ' HA ' ' A' ' 88' ' ' GLN . 3.5 p -163.93 125.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.457 ' CG ' HG12 ' A' ' 50' ' ' ILE . 19.4 m-85 -116.62 -164.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.5 mmp_? -106.43 158.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 8.7 mp -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 pt-20 -64.96 -25.56 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 18.8 m-30 -96.7 -5.96 37.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.439 HG13 ' CD1' ' A' ' 30' ' ' LEU . 18.8 t -78.62 111.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.455 ' CB ' ' HB3' ' A' ' 49' ' ' ARG . 5.9 t -55.23 177.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -150.6 40.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -123.28 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.67 139.7 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.9 m-85 -62.03 120.02 10.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.44 148.98 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 42.3 tt0 -42.12 -62.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.5 m -38.19 -67.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 2.2 mm-40 -37.38 -62.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 12.9 t80 -42.36 -60.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 mmt -59.89 -59.96 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.06 -45.89 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.521 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 8.3 t90 -67.79 -50.71 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.418 ' CG ' HD21 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -44.71 -45.13 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.74 -52.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.495 ' CB ' ' NE2' ' A' ' 91' ' ' HIS . . . -52.59 -43.64 65.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.492 ' CE ' ' O ' ' A' ' 126' ' ' GLN . 28.2 mmm -68.23 -41.02 81.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -67.87 -34.76 77.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -75.2 -42.63 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.52 -3.02 31.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.38 32.61 77.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.14 -175.0 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 111.007 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CE ' ' A' ' 120' ' ' MET . 63.1 mt-30 -123.48 148.7 45.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.597 ' HB3' ' CD ' ' A' ' 128' ' ' PRO . 0.1 OUTLIER -90.95 -174.39 0.44 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.617 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.05 128.66 11.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 0.9 OUTLIER -78.51 139.23 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 12' ' ' GLN . 2.9 mm? -38.41 -39.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -56.7 -60.6 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 1.6 mt-10 -50.66 -45.42 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.401 HD11 ' CG2' ' A' ' 23' ' ' VAL . 1.2 mm -57.51 -55.66 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -55.84 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.8 -54.39 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 42' ' ' THR . 3.5 tppt? -53.55 -56.1 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 18.0 tt0 -40.0 -62.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -44.23 -52.95 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.54 -45.64 13.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.436 HD12 ' CD ' ' A' ' 136' ' ' LYS . 3.2 mp -62.77 -55.59 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.422 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.0 OUTLIER -44.93 -56.86 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.18 -59.71 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -41.16 -59.8 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.4 t -160.65 144.28 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 101.17 103.81 2.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.75 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.06 126.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 40.8 p -171.18 107.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 1.002 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.928 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.04 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 21.16 89.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -31.82 63.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 172.43 7.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.94 -8.63 20.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.0 mt-10 -71.71 -57.79 4.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 67.9 mm-40 -46.46 -41.49 14.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.625 HD11 ' CD2' ' A' ' 47' ' ' PHE . 14.3 tp -69.15 -31.5 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' GLU . 4.2 m-20 -70.99 -26.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 46.2 mtp180 -63.51 -39.8 95.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG21 HD13 ' A' ' 133' ' ' ILE . 30.3 m -104.75 30.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 15.0 ttp85 -93.05 91.15 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.97 HD13 HD21 ' A' ' 30' ' ' LEU . 6.9 mt -41.29 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.416 ' HB3' ' NH2' ' A' ' 24' ' ' ARG . 80.3 p -135.92 138.4 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG2' HD11 ' A' ' 78' ' ' LEU . 13.8 ttp180 -38.8 -41.86 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.1 -68.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 10.5 mtmt -46.13 -38.45 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.97 HD21 HD13 ' A' ' 25' ' ' LEU . 80.1 mt -67.04 -46.9 73.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -28.33 67.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -88.12 -50.15 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.898 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.3 m0 -67.3 -16.94 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.13 -16.05 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.4 p80 -111.1 6.91 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 34.4 mmm -102.22 159.42 29.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -81.95 47.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 43' ' ' VAL . 71.3 t80 -81.48 -72.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.54 -44.73 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -50.48 65.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.5 m -69.58 -72.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.78 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m -35.32 -34.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 5.6 m -68.61 106.89 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.14 -11.92 12.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 56.5 m -88.31 -166.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 20' ' ' LEU . 31.4 m-85 -143.99 140.23 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' A' ' 103' ' ' VAL . 20.7 m -129.45 159.79 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.621 ' NH2' ' CD2' ' A' ' 61' ' ' TYR . 1.4 ttt-85 -102.08 115.3 30.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.238 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.0 tp -100.68 144.06 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -105.37 77.46 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.845 HG12 HD11 ' A' ' 52' ' ' ILE . 1.5 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.621 ' CD2' ' NH2' ' A' ' 49' ' ' ARG . 57.6 m-85 -153.52 156.2 37.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' HD12 ' A' ' 52' ' ' ILE . 12.0 mmm180 -146.02 144.38 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 108' ' ' PHE . 73.4 t -87.08 135.36 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -136.72 149.47 47.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.91 123.24 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.464 HG21 HG23 ' A' ' 43' ' ' VAL . 51.2 mt -64.51 122.42 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 90' ' ' ARG . 18.3 p -101.93 -15.06 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.64 -169.36 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 40' ' ' ALA . 79.1 t -132.69 124.7 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 86' ' ' GLY . 20.9 m -98.7 -177.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.8 pt-20 -133.43 121.88 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -95.43 179.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.64 -31.08 10.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -94.89 144.85 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.978 HG22 ' HB3' ' A' ' 84' ' ' ASN . 39.1 t -107.21 150.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 33.1 p90 -136.44 159.03 43.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -75.76 152.08 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.4 tp -151.33 73.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.2 29.34 60.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.45 -39.47 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -84.37 146.42 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.504 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -109.18 112.67 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.503 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 13.2 t -113.7 167.01 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.978 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.7 p-10 -141.26 44.48 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -118.72 112.25 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.657 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -82.32 118.76 4.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -71.06 114.51 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -77.83 97.75 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 17.5 mt -100.12 159.8 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 67' ' ' THR . 1.4 ttm180 -135.77 116.81 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASP . 69.8 t60 -96.99 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 71.13 -112.32 4.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.44 14.11 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -122.79 135.33 54.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.99 165.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 97' ' ' VAL . 2.7 mtt-85 -158.96 -178.34 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.7 t -153.81 103.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 50' ' ' ILE . 83.6 m-85 -108.08 -172.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 16.0 mmt-85 -116.13 161.33 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.7 mp -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 pt-20 -50.4 -38.97 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.3 m-30 -78.09 -30.57 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 30' ' ' LEU . 9.9 t -59.71 96.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 64.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -130.71 161.72 31.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.16 127.87 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -50.87 105.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.6 p -54.51 147.08 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -52.8 -25.45 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . 16.8 m -78.01 -65.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -38.93 -56.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.3 t80 -46.45 -52.89 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.16 -41.18 81.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -60.2 -46.19 90.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.493 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -66.77 -44.08 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 107.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -42.28 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -45.89 -51.35 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB1' ' HA3' ' A' ' 92' ' ' GLY . . . -54.56 -39.35 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.69 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.9 mmm -73.4 -39.87 64.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.14 -28.84 63.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.6 t -76.51 -44.46 35.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.536 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -78.0 -11.93 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.01 11.52 85.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.536 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 11.7 mtp -72.55 167.08 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.436 ' O ' ' CE ' ' A' ' 120' ' ' MET . 7.7 mt-30 -108.22 151.55 25.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.928 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.95 -174.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.0 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.1 p -80.17 139.34 36.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -42.35 -30.27 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.64 -50.33 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -63.19 -43.94 96.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.657 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.5 mm -51.21 -53.83 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.71 -62.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -44.24 -54.38 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.0 tppt? -56.46 -59.63 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.539 ' HA ' HD13 ' A' ' 140' ' ' ILE . 6.8 tp10 -44.2 -54.8 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.9 OUTLIER -45.37 -27.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -75.54 -39.96 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.1 mp -60.21 -45.72 95.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.19 -63.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.248 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.682 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.665 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.4 m 18.42 91.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.402 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -56.4 -33.03 65.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -133.01 171.72 8.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.574 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.96 -20.51 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.05 -51.81 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.663 ' CD ' HD12 ' A' ' 130' ' ' LEU . 26.9 mm-40 -50.27 -41.0 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD11 ' CG ' ' A' ' 47' ' ' PHE . 7.0 tp -68.41 -25.12 64.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.9 -19.64 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -74.5 -33.71 62.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 133' ' ' ILE . 5.0 m -106.13 9.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 106' ' ' GLN . 40.8 ttp85 -73.92 92.01 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD13 HD21 ' A' ' 30' ' ' LEU . 4.7 mt -44.47 152.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -120.2 130.82 54.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.973 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -37.56 -50.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.2 m-70 -51.4 -57.96 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 mtmt -52.05 -43.83 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.009 HD21 HD13 ' A' ' 25' ' ' LEU . 60.1 mt -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -26.14 65.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -88.85 -50.63 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.959 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.5 m0 -68.05 -15.82 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.39 -17.45 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.301 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 10.5 t-80 -109.59 4.75 22.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 18.3 mmm -97.71 160.04 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -83.79 45.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' VAL . 50.9 t80 -77.55 -69.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.52 -21.23 65.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -34.87 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' VAL . 87.1 m -89.68 -68.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 25' ' ' LEU . 15.5 m -35.94 -36.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.2 m -66.67 108.12 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.41 -19.89 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 140' ' ' ILE . 58.6 m -89.79 164.98 14.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.593 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 26.7 m-85 -110.88 144.79 39.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 66' ' ' ILE . 20.9 m -132.32 145.07 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -90.92 121.82 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.5 tp -100.58 141.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.84 81.08 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.896 HD11 HG12 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.896 HG12 HD11 ' A' ' 52' ' ' ILE . 1.4 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -131.35 158.9 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.742 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -141.37 129.03 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 46.6 t -78.79 144.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -154.56 162.5 41.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.7 tt0 -121.01 130.59 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 48' ' ' VAL . 34.2 mt -66.9 113.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.5 p -99.21 4.02 46.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.16 -173.93 33.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 68.9 t -131.51 123.15 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 86' ' ' GLY . 23.1 m -98.46 -179.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -131.74 117.57 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.3 p -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.61 -32.01 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -97.54 146.54 25.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.853 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.7 t -108.58 146.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 20.0 p90 -137.0 158.3 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -69.98 152.19 44.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 81' ' ' THR . 14.4 tp -153.46 86.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.7 20.76 70.5 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.07 -39.14 2.75 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.15 146.45 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HD3' HG12 ' A' ' 75' ' ' VAL . 4.6 mtt85 -103.25 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.8 t -113.02 168.22 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.853 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.5 p-10 -140.53 16.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -93.87 128.89 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.775 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.65 117.6 5.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.6 mt -65.45 118.03 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -77.48 96.18 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.549 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.1 mt -104.94 130.38 53.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.515 ' HB3' HG21 ' A' ' 67' ' ' THR . 10.2 ptt180 -110.31 162.73 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 119' ' ' ALA . 78.4 t60 -143.06 124.19 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.438 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 56.58 -96.0 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.17 18.81 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.61 153.2 37.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.72 129.23 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' LEU . 3.6 ttt180 -119.67 -177.43 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -149.26 130.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.544 ' CD2' HG12 ' A' ' 50' ' ' ILE . 90.2 m-85 -131.82 -171.98 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 96.9 mtt180 -120.46 160.01 23.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -67.58 -28.54 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -64.63 -29.96 70.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.6 m-30 -86.93 -25.56 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 87' ' ' LEU . 53.8 t -63.78 141.58 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -110.47 176.1 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -134.21 64.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.6 mp0 -116.63 177.92 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.54 113.36 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -40.89 134.74 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -105.48 147.64 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -40.75 -56.13 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.2 m -41.85 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -43.53 -62.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.5 t80 -39.51 -51.13 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.9 mmt -71.26 -35.27 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -64.96 -47.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 127' ' ' LEU . 2.5 t90 -65.67 -45.85 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.18 -48.42 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -39.81 -52.47 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.514 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . . . -53.41 -44.55 68.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.789 ' HE2' HD23 ' A' ' 127' ' ' LEU . 29.9 mmm -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.88 -36.75 80.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -39.86 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.04 -2.31 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.66 29.9 64.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.0 -172.61 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 120' ' ' MET . 81.0 mt-30 -126.43 152.51 46.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.8 -173.74 0.37 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.08 121.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -68.83 138.61 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.682 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.5 mm? -38.34 -36.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -63.45 -60.14 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -40.35 51.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' CG1' ' A' ' 14' ' ' VAL . 3.1 mm -55.81 -60.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.18 -57.7 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -47.31 -52.05 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.2 tppt? -62.16 -55.68 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -38.49 -61.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 138' ' ' LEU . 3.4 mm? -44.16 -49.33 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -45.22 41.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.815 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.74 -57.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -60.81 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.952 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.2 tt0 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.936 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.01 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 24.62 88.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -56.18 -31.72 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.543 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.56 172.87 6.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -75.01 -11.79 21.47 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -67.81 -51.44 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 69.6 mm-40 -51.51 -36.65 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.4 tp -73.32 -18.25 61.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -88.13 -18.28 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -71.69 -34.16 69.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 133' ' ' ILE . 3.7 m -101.94 10.44 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 57.2 ttp85 -75.95 120.33 21.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 43' ' ' VAL . 28.3 mt -75.8 -178.54 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -147.68 132.65 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 78' ' ' LEU . 4.0 ttp-105 -34.32 -44.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.0 -63.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -46.07 -44.38 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 39.4 mt -64.27 -45.44 88.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.524 ' OE1' HG21 ' A' ' 81' ' ' THR . 0.5 OUTLIER -59.95 -20.91 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -96.49 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.688 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.7 m0 -67.34 -16.13 64.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 t -68.21 -17.57 64.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 8.2 p80 -114.75 20.26 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.558 ' SD ' ' CE1' ' A' ' 35' ' ' HIS . 22.6 mmm -135.17 164.13 46.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 40.2 p90 43.93 21.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 43' ' ' VAL . 72.3 t80 -67.18 -69.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -61.9 -23.0 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -77.06 -36.77 55.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' THR . 49.4 m -83.1 -70.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.861 ' HA ' HD11 ' A' ' 25' ' ' LEU . 12.8 m -36.75 -33.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.8 m -67.31 113.47 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.97 -2.31 22.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 140' ' ' ILE . 74.2 m -97.0 -171.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 33.0 m-85 -139.51 130.45 26.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 29.1 m -126.82 153.46 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mtp180 -89.98 118.01 29.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.73 149.8 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.25 113.0 4.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.719 HG21 ' HG3' ' A' ' 62' ' ' ARG . 2.4 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG12 ' CG1' ' A' ' 52' ' ' ILE . 2.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -125.25 146.31 49.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.719 ' HG3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.98 127.8 29.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 48.7 t -57.58 138.09 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.08 135.96 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.83 134.96 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.1 mt -72.7 123.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.9 p -110.53 -5.43 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.96 -174.51 37.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 78.6 t -133.8 119.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 86' ' ' GLY . 28.5 m -98.16 176.45 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -121.59 152.61 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -127.78 176.76 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.54 -30.25 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -91.73 146.77 23.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.909 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.1 t -114.49 147.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 27.7 p90 -136.34 156.17 49.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.75 154.17 42.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -154.43 91.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.38 13.59 50.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.87 -41.28 1.68 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.524 HG21 ' OE1' ' A' ' 31' ' ' GLU . 13.8 t -84.34 145.11 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.536 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -104.37 113.2 26.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -113.82 167.18 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.909 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.6 p-10 -140.94 45.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -116.3 118.52 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.21 115.22 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 103' ' ' VAL . 4.9 mt -69.83 113.03 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.38 98.59 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.803 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.5 mt -104.84 148.35 26.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.4 OUTLIER -129.71 119.57 23.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -109.73 99.38 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.89 -130.69 10.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -94.69 18.4 11.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.4 147.47 49.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -108.61 153.98 22.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.9 mtt180 -143.96 175.52 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.3 t -148.79 107.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 92.4 m-85 -115.25 -168.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 40.5 mtt180 -119.8 163.88 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.99 -34.79 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.8 pt-20 -59.02 -39.04 80.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -80.04 -6.61 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 87' ' ' LEU . 7.7 t -89.02 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -103.08 114.69 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -39.18 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 52.69 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.29 119.17 20.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 9.3 m-85 -44.53 136.12 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 112' ' ' GLU . 10.5 t -107.44 137.29 45.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -38.2 -47.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -47.19 -67.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 109' ' ' THR . 48.9 mt-10 -56.06 -55.28 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.9 t80 -39.59 -40.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.75 -36.97 42.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' GLU . 10.3 mmtp -61.59 -46.82 88.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.433 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.7 t90 -65.46 -44.71 86.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.8 OUTLIER -47.92 -44.68 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.18 -50.46 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.2 -38.13 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 127' ' ' LEU . 22.9 mmm -74.47 -38.41 62.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.19 -28.49 64.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.5 t -81.83 -45.86 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -72.82 -12.4 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.0 81.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 15.8 mtp -77.38 170.06 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 48.5 mt-30 -112.1 152.2 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -93.29 -177.45 0.7 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.1 Cg_endo -75.04 130.03 12.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.37 139.7 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.374 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.76 -32.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -52.08 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.8 mm-40 -61.07 -43.17 99.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.545 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -57.54 -45.32 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.06 -63.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -48.94 -39.88 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.5 tppt? -69.41 -52.5 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.9 tt0 -46.64 -61.43 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.0 mm? -44.37 -46.79 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -44.11 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.688 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.72 -53.27 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.3 mppp? -48.17 -63.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.924 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.938 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.93 104.35 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.0 OUTLIER 22.69 89.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -30.92 61.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 172.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.95 -23.9 13.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -53.72 -56.14 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 50.4 mm-40 -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 47' ' ' PHE . 7.5 tp -65.02 -27.84 69.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -76.58 -26.59 55.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -67.09 -25.38 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 133' ' ' ILE . 16.6 m -118.84 14.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 41.7 ttp85 -83.9 90.86 7.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.112 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 5.8 mt -48.54 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 35.9 p -129.0 136.12 49.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 8.0 ttp-105 -36.4 -41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -53.67 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -50.89 -45.92 60.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 25' ' ' LEU . 55.0 mt -57.52 -50.26 73.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -21.37 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.54 -48.94 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 1.112 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 11.6 m0 -67.72 -15.99 63.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 107.978 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t -66.91 -14.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 108.254 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -112.05 9.81 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 40.5 mmm -108.36 160.39 27.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.06 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -79.12 49.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.782 ' O ' HG22 ' A' ' 43' ' ' VAL . 76.1 t80 -86.54 -69.1 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -53.9 -45.93 71.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -49.32 74.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.8 m -69.06 -72.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 39' ' ' PHE . 25.0 m -35.36 -37.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.1 m -62.2 105.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.97 -26.81 7.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 140' ' ' ILE . 66.5 m -75.37 166.42 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 16.0 m-85 -118.15 150.26 39.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.518 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.3 m -142.48 154.99 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -96.98 124.34 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -100.53 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -111.06 74.26 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.917 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.917 HG12 HD11 ' A' ' 52' ' ' ILE . 3.7 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.406 ' N ' HD11 ' A' ' 52' ' ' ILE . 35.9 m-85 -150.92 165.12 34.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.608 ' O ' HG22 ' A' ' 50' ' ' ILE . 40.3 mtp85 -151.42 140.25 20.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.78 HG13 ' CE1' ' A' ' 108' ' ' PHE . 46.6 t -87.09 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.04 157.14 44.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.84 133.14 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 43' ' ' VAL . 35.4 mt -69.57 127.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.613 HG21 ' HB2' ' A' ' 90' ' ' ARG . 10.5 p -115.18 6.89 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.27 179.37 26.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 77.5 t -125.59 121.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 86' ' ' GLY . 22.8 m -98.65 -178.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.5 pt-20 -132.7 121.65 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p -94.73 175.8 6.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.41 -32.82 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -94.16 151.27 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 84' ' ' ASN . 30.5 t -116.62 150.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.1 p90 -134.61 163.46 29.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.03 144.56 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' THR . 57.4 tp -136.58 67.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.19 71.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.01 -49.23 0.89 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.9 t -83.38 142.34 31.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -104.15 113.64 27.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' CE1' ' A' ' 76' ' ' TYR . 15.3 t -111.81 168.75 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.847 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.8 p-10 -139.31 16.27 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HE3' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mtpp -89.19 114.74 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.61 113.71 3.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -67.49 114.73 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.23 95.74 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.4 mt -99.94 142.87 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.613 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.6 ttm-85 -117.32 130.98 56.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -117.64 102.32 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 65.33 -129.9 34.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.73 15.93 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 143.24 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.86 158.87 15.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' VAL . 9.5 mtt180 -147.27 179.28 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ARG . 44.1 t -154.13 107.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 50' ' ' ILE . 88.4 m-85 -112.13 -171.06 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 83.4 mtt180 -119.89 159.19 25.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.4 -36.73 76.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 11.6 pt-20 -57.39 -32.13 66.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 16.1 m-30 -90.32 -13.71 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.645 HG21 HD12 ' A' ' 87' ' ' LEU . 4.3 t -74.4 99.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -53.01 160.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -123.89 36.74 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.496 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 mp0 -111.88 166.22 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.6 140.72 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.78 ' CE1' HG13 ' A' ' 63' ' ' VAL . 10.6 m-85 -58.05 122.87 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 p -77.78 175.73 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.46 -23.98 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 20.0 m -79.0 -70.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 10.4 mm-40 -37.78 -62.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 28.4 t80 -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.5 mmt -76.19 -41.91 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -59.5 -44.18 93.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.9 t90 -66.69 -47.91 70.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.45 -47.93 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.88 -51.03 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.88 -45.66 71.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.691 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.8 mmm -66.3 -41.04 90.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -68.87 -35.84 77.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -72.54 -38.24 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.57 9.38 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 47.88 39.12 17.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.67 -171.53 2.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.42 ' O ' ' CE ' ' A' ' 120' ' ' MET . 37.5 mt-30 -127.77 142.96 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -88.76 -179.33 1.25 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 130.67 13.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -79.89 140.2 36.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.59 -31.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 6.9 t0 -66.88 -56.42 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -56.07 -29.19 60.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.625 HD13 HG21 ' A' ' 23' ' ' VAL . 2.4 mm -69.52 -53.44 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.08 -53.89 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -52.61 -41.85 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.7 tppt? -70.94 -51.85 23.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.34 -59.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -46.06 -48.64 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -43.41 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.862 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.4 mp -63.87 -53.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -51.14 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.967 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.917 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 151.48 39.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -37.14 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.6 -2.87 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.35 161.36 41.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.07 20.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.2 mt-10 -68.87 -69.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.678 ' H ' HD13 ' A' ' 16' ' ' LEU . 51.5 mm-40 -42.03 -50.06 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 20' ' ' LEU . 16.6 tp -61.8 -38.92 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -61.43 -26.5 67.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 49.5 mtp180 -63.43 -48.16 78.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 133' ' ' ILE . 32.9 m -89.41 24.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -82.82 92.34 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.906 HD11 ' HA ' ' A' ' 43' ' ' VAL . 12.6 mt -51.42 163.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 p -136.73 134.73 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -39.33 -48.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -45.7 -62.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -50.57 -56.99 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 25' ' ' LEU . 68.7 mt -48.77 -45.58 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -23.12 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 1.4 mtt180 -97.44 -49.36 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.555 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.9 m0 -66.93 -18.29 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.31 -16.41 60.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -111.19 5.31 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.604 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.462 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 39.4 mmm -100.09 160.74 26.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -79.67 48.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.499 ' O ' HG22 ' A' ' 43' ' ' VAL . 71.7 t80 -82.83 -74.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.86 -46.01 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.56 -52.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 94.3 m -65.42 -72.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.906 ' HA ' HD11 ' A' ' 25' ' ' LEU . 11.4 m -35.96 -35.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.4 m -66.1 111.92 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.23 9.95 16.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.428 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 9.3 m -119.11 -179.39 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.1 m-85 -130.55 138.3 50.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 25' ' ' LEU . 34.4 m -121.24 152.35 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' NH1' ' OE2' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -90.25 104.89 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.58 HG12 ' CD2' ' A' ' 98' ' ' PHE . 3.1 tp -100.66 149.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.64 104.1 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.045 HG22 HD11 ' A' ' 52' ' ' ILE . 8.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -152.06 144.84 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.7 mmp_? -130.08 126.74 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 128.74 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -128.66 162.37 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.9 tt0 -120.77 131.6 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 25' ' ' LEU . 10.4 mt -73.62 120.34 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -106.67 -5.79 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.11 -169.28 37.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 ' HD2' ' A' ' 85' ' ' LYS . 60.4 t -135.45 132.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.0 m -107.44 -176.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 128.03 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.6 p -100.24 -177.13 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.11 -30.09 8.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 149.97 22.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.4 t -114.69 143.82 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 11.0 p90 -134.17 168.02 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -82.34 144.76 30.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' THR . 39.8 tp -133.64 62.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.25 86.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.83 -61.45 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.9 t -82.9 148.57 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -112.92 114.27 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 76' ' ' TYR . 14.9 t -113.91 146.09 40.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.761 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.3 p-10 -111.36 35.32 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.541 ' HD2' HG11 ' A' ' 69' ' ' VAL . 8.7 mtmm -102.82 157.14 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.76 125.49 5.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.838 HD12 HG21 ' A' ' 103' ' ' VAL . 9.3 mt -78.99 112.76 16.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.41 96.44 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.3 mt -101.24 158.47 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 67' ' ' THR . 6.8 ttm-85 -135.68 125.88 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -115.48 102.52 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.425 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 69.45 -119.33 9.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.23 19.56 19.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.05 135.05 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.42 160.79 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mtt-85 -148.12 178.81 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 96' ' ' ARG . 38.9 t -152.86 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 50' ' ' ILE . 89.4 m-85 -108.1 -170.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.555 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 84.5 mtt85 -120.09 165.39 14.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.9 mp -66.19 -37.54 85.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -52.25 -40.99 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.7 m-85 -80.52 -27.37 37.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.838 HG21 HD12 ' A' ' 87' ' ' LEU . 7.0 t -59.39 99.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -73.37 163.13 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -125.8 84.11 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.13 166.77 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.1 139.42 38.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -65.61 124.96 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 p -74.38 150.29 40.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.61 -26.64 56.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' NZ ' ' A' ' 115' ' ' LYS . 6.4 t -79.37 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 113' ' ' PHE . 5.6 pt-20 -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CZ ' ' C ' ' A' ' 16' ' ' LEU . 26.9 t80 -55.53 -35.08 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.16 -43.64 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 12.9 mptt -54.3 -39.61 67.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -68.87 -47.04 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.42 -43.52 34.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.29 -48.35 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.82 83.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.522 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.1 mmm -65.33 -40.07 93.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -68.98 -39.21 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -69.27 -38.86 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.71 -0.57 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.18 32.1 66.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -90.57 -173.67 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.443 ' O ' ' HE1' ' A' ' 120' ' ' MET . 14.8 mt-30 -125.25 147.0 49.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.917 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -94.22 -175.19 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.2 p -81.57 138.75 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.967 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.1 mm? -40.4 -42.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -49.65 67.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.7 OUTLIER -65.21 -45.84 83.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 14' ' ' VAL . 2.0 mm -50.26 -59.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.78 -64.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -42.66 -57.33 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.8 tppt? -51.93 -61.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 5.7 tp10 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.6 OUTLIER -44.91 -31.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -70.23 -40.8 74.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.555 HG23 ' CH2' ' A' ' 33' ' ' TRP . 1.8 mp -59.16 -46.71 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -60.08 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.369 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.822 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.888 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 15.3 m 21.99 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -20.17 66.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 ' CD ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -142.47 171.54 7.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.0 -10.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 16' ' ' LEU . 2.9 mt-10 -67.02 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.767 ' CD ' HD12 ' A' ' 16' ' ' LEU . 1.3 mt-10 -41.0 -49.21 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 47' ' ' PHE . 9.5 tp -62.35 -41.21 98.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 m-20 -58.32 -22.42 53.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -71.3 -33.58 69.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 5.6 m -110.17 14.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' NH2' ' CG ' ' A' ' 107' ' ' GLU . 6.5 tmm_? -77.27 95.34 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 43' ' ' VAL . 10.9 mt -56.01 156.15 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.1 p -123.55 138.02 54.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.6 ttp180 -37.4 -56.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -46.07 -67.13 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 20.5 mttp -41.67 -48.12 4.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 34' ' ' CYS . 21.0 mt -59.7 -65.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.7 OUTLIER -36.08 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 mtt85 -81.03 -51.63 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.632 ' HH2' HG23 ' A' ' 140' ' ' ILE . 9.8 m0 -67.76 -17.37 64.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.88 -11.7 40.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -113.93 7.83 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.5 mmm -104.46 160.43 26.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -81.51 46.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.762 ' CE1' HG11 ' A' ' 43' ' ' VAL . 11.0 t80 -82.29 -71.92 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.44 -53.88 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -57.26 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' VAL . 99.4 m -57.84 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.762 HG11 ' CE1' ' A' ' 39' ' ' PHE . 12.9 m -39.12 -45.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.538 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.9 m -52.12 105.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.09 -15.45 8.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.79 ' SG ' HD11 ' A' ' 140' ' ' ILE . 88.8 m -90.03 174.45 7.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 20' ' ' LEU . 37.1 m-85 -120.16 144.09 47.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.406 HG11 HD11 ' A' ' 66' ' ' ILE . 33.5 m -135.66 145.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 5.2 ttp85 -89.04 112.65 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.85 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -99.87 149.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.75 106.37 1.21 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.054 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 52' ' ' ILE . 11.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' NH1' ' A' ' 49' ' ' ARG . 29.2 m-85 -152.83 144.81 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.85 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.5 mmp_? -129.01 127.18 41.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 108' ' ' PHE . 54.9 t -78.59 131.47 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -134.84 166.34 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.53 128.77 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.547 HD13 ' HB ' ' A' ' 43' ' ' VAL . 40.1 mt -64.76 112.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.6 p -97.9 2.59 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 -176.49 32.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.687 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 70.5 t -130.26 120.08 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.73 169.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.96 142.7 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.0 p -114.33 173.79 6.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.02 -32.74 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -96.86 141.96 29.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.932 HG22 ' HB3' ' A' ' 84' ' ' ASN . 40.8 t -106.94 148.95 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 34.2 p90 -136.17 156.0 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.56 150.69 46.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.574 ' CD2' HD22 ' A' ' 100' ' ' LEU . 9.2 tp -154.39 91.96 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.55 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.48 -39.97 2.59 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 78' ' ' LEU . 5.1 t -83.94 146.74 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -106.36 112.27 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 t -113.31 166.35 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.932 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.4 p-10 -140.46 40.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -114.01 117.55 31.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.514 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.82 120.06 5.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 103' ' ' VAL . 6.4 mt -71.25 114.48 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.373 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.5 97.15 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.54 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 mt -103.54 158.85 16.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.437 ' HB2' HG21 ' A' ' 67' ' ' THR . 13.0 ttm180 -140.22 125.14 18.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -110.22 130.37 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.41 -108.92 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -119.49 22.44 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.46 150.39 47.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 153.02 20.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 6.6 mtt-85 -144.96 176.93 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -151.44 108.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CD2' HG12 ' A' ' 50' ' ' ILE . 82.8 m-85 -113.41 -171.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.488 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 34.5 mtt-85 -116.9 174.58 6.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 34' ' ' CYS . 7.1 mp -71.27 -33.01 69.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 13.3 pt-20 -60.23 -39.91 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -76.98 -19.96 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 87' ' ' LEU . 7.6 t -72.34 103.51 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.4 173.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -119.25 -40.05 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -44.11 166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 8.9 mt-10 -81.62 167.42 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 63' ' ' VAL . 4.8 m-85 -75.07 133.24 41.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 112' ' ' GLU . 5.7 t -101.38 146.72 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' SER . 39.6 tt0 -47.48 -55.15 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' GLU . 51.0 m -39.54 -72.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 0.4 OUTLIER -49.38 -59.5 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 34.4 t80 -38.54 -37.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mmt -81.6 -44.5 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.8 mptt -54.99 -42.39 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -67.5 -49.9 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -43.76 -48.73 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -42.04 -51.14 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.31 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.87 ' HE2' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.81 -39.81 83.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -69.44 -37.9 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -72.56 -38.76 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.94 -1.14 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.88 37.57 85.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.58 -174.79 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.516 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.1 mt-30 -124.33 148.44 47.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.888 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.7 -176.41 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.7 p -85.86 139.14 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -43.87 -28.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.4 -48.52 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.5 mt-10 -68.6 -48.86 63.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -46.12 -55.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.14 -56.44 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.236 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -51.39 24.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.6 tppt? -61.66 -56.18 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 136' ' ' LYS . 32.2 tt0 -37.66 -61.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.9 mm? -43.9 -50.33 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -41.0 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.79 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.1 mp -69.08 -44.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.6 OUTLIER -55.46 -62.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 130' ' ' LEU . 4.1 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.97 156.39 43.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -39.85 97.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -67.61 -26.88 66.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.071 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -135.17 170.11 12.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.94 -7.38 19.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.2 mt-10 -65.02 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.5 mt-10 -44.7 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.655 HD11 ' CG ' ' A' ' 47' ' ' PHE . 8.3 tp -63.06 -36.4 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.8 m-20 -63.46 -26.85 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 19.6 mtp85 -66.76 -51.91 50.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 133' ' ' ILE . 25.4 m -89.37 16.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 31.6 ttp85 -80.37 88.18 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 30' ' ' LEU . 7.9 mt -46.65 165.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ARG . 60.5 p -135.75 137.51 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' SER . 12.8 ttp180 -36.32 -58.04 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -46.56 -64.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -42.7 -49.47 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 25' ' ' LEU . 37.2 mt -58.94 -54.41 47.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.53 -28.84 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -85.61 -50.56 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 13.8 m0 -67.24 -14.67 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.57 -17.41 64.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.293 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.8 p80 -108.15 12.45 26.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.498 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 50.9 mmm -111.17 159.22 33.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -77.21 50.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 43' ' ' VAL . 74.2 t80 -85.1 -74.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -47.52 -46.3 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -54.69 25.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 43' ' ' VAL . 25.2 m -65.13 -73.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.741 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.9 m -34.72 -37.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -64.24 106.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.23 -15.27 8.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 m -88.92 172.64 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 20' ' ' LEU . 24.0 m-85 -123.36 146.74 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 28.8 m -138.97 151.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 105' ' ' ASN . 1.0 OUTLIER -93.78 112.28 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 98' ' ' PHE . 5.7 tp -100.03 149.98 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.03 104.64 1.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.084 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.084 HG22 HD11 ' A' ' 52' ' ' ILE . 9.2 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -153.39 150.5 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.0 mmp_? -132.24 127.42 35.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 112' ' ' GLU . 79.3 t -76.2 125.3 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -130.73 165.57 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 10.3 tt0 -123.59 128.19 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 43' ' ' VAL . 31.2 mt -63.55 112.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.568 HG21 ' HB2' ' A' ' 90' ' ' ARG . 7.6 p -96.78 -0.2 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.75 -167.85 35.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 69.8 t -138.61 123.95 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.4 m -100.39 -176.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.9 pt-20 -135.4 122.96 22.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 p -95.88 172.22 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.51 -35.49 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -95.61 150.5 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 84' ' ' ASN . 42.2 t -111.72 146.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.655 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 18.1 p90 -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.5 145.31 50.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 27' ' ' ARG . 19.7 tp -146.81 82.25 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.04 15.29 79.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.73 -34.26 4.44 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -84.47 148.26 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.698 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.1 112.4 25.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.655 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -113.91 166.47 11.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.962 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.8 p-10 -147.47 44.87 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -117.09 98.65 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -68.58 112.67 4.78 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.801 HD12 HG21 ' A' ' 103' ' ' VAL . 7.6 mt -66.65 110.62 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.87 95.54 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.0 mt -101.05 154.95 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.568 ' HB2' HG21 ' A' ' 67' ' ' THR . 5.7 ttp180 -128.86 123.18 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 62' ' ' ARG . 44.8 t60 -111.74 100.34 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.29 -127.46 12.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.32 21.49 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.72 144.18 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.14 154.76 18.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.482 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 mtt-85 -141.19 169.7 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.2 t -142.67 101.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 50' ' ' ILE . 95.8 m-85 -109.36 -173.19 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 21.0 mtt180 -117.89 165.65 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.78 -34.69 78.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 14.4 pt-20 -58.32 -35.63 72.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.3 m-30 -84.05 -25.78 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.801 HG21 HD12 ' A' ' 87' ' ' LEU . 4.5 t -60.7 94.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.16 159.51 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.445 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 8.9 p30 -110.71 -163.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 13.6 tt0 74.51 167.09 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 12.7 pt-20 -73.3 149.04 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 6.9 m-85 -59.64 159.36 8.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -102.25 145.56 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -56.6 -26.74 56.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -75.22 -69.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -42.37 -55.49 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.6 t80 -41.64 -66.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.2 mmt -58.21 -39.45 79.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -59.86 -39.09 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.472 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -70.29 -44.98 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 107.963 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.82 -47.35 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.25 -52.05 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.13 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.909 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.7 mmm -65.72 -39.66 91.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.77 -37.85 73.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -37.97 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.37 10.41 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 46.64 41.71 13.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -98.19 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.566 ' O ' ' HE1' ' A' ' 120' ' ' MET . 72.8 mt-30 -124.64 147.06 48.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.88 -174.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.95 127.47 10.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -71.17 135.11 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.622 HD22 ' CD ' ' A' ' 19' ' ' GLU . 38.8 mt -42.07 -41.28 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -47.75 78.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -63.06 -45.47 92.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.7 mm -48.99 -57.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.06 -64.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -42.28 -59.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.9 tppt? -49.53 -60.13 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.6 tp10 -41.96 -56.89 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.3 mm? -42.53 -33.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -69.84 -44.3 70.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.935 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -56.4 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.87 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.952 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.8 m 24.91 89.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -34.56 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -134.96 174.36 4.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -19.49 17.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.7 mt-10 -61.37 -49.23 77.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.675 ' CD ' HD12 ' A' ' 130' ' ' LEU . 35.6 mm-40 -50.14 -42.08 50.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.9 tp -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 2.6 m-20 -78.04 -28.56 49.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 24.2 mtp85 -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 133' ' ' ILE . 18.9 m -100.41 29.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 40.3 ttp85 -89.41 89.86 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 30' ' ' LEU . 9.0 mt -44.02 155.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -122.88 130.51 52.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.053 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -37.86 -44.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -56.74 -62.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -46.37 -49.87 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 25' ' ' LEU . 22.3 mt -56.81 -55.37 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.0 mtt180 -93.19 -50.54 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.567 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.2 m0 -68.69 -9.37 49.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -58.53 -16.43 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.53 -19.89 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.413 ' SD ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 mmt -53.88 154.93 6.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 36' ' ' MET . 18.2 Cg_endo -75.01 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.5 p90 -82.19 12.82 3.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 43' ' ' VAL . 35.7 t80 -35.12 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.16 -45.35 43.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -51.86 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' THR . 5.8 m -66.59 -72.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.854 ' HA ' HD11 ' A' ' 25' ' ' LEU . 10.4 m -36.58 -33.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -68.62 106.57 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.75 6.64 11.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.465 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 19.2 m -112.13 170.19 8.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.9 m-85 -118.95 141.8 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.8 m -134.22 147.32 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 61' ' ' TYR . 1.6 tpt85 -86.92 114.84 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 62' ' ' ARG . 7.4 tp -101.22 146.07 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.15 107.54 2.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 52' ' ' ILE . 7.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.419 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 37.8 m-85 -148.46 144.75 27.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.681 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.9 mmt-85 -123.04 141.28 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.522 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 84.6 t -83.91 143.67 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -149.6 154.74 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -115.79 125.34 52.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.472 HD12 HD12 ' A' ' 25' ' ' LEU . 3.6 mt -63.22 115.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -104.95 1.22 28.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.76 -174.84 33.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.77 123.36 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.482 HG21 HG11 ' A' ' 97' ' ' VAL . 26.1 m -99.01 170.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 146.02 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.1 p -121.49 175.0 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.71 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -92.97 146.74 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.868 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.4 t -115.3 149.86 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 23.7 p90 -140.14 160.85 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -74.8 150.44 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 17.2 tp -149.15 79.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.09 22.88 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.152 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.76 -41.63 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.0 t -84.67 142.89 29.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.7 mtt180 -104.18 113.79 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.507 HG22 ' CE1' ' A' ' 76' ' ' TYR . 9.5 t -112.14 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.868 ' HB3' HG22 ' A' ' 75' ' ' VAL . 3.9 p-10 -140.82 17.9 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -97.16 115.74 28.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.27 124.51 6.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 103' ' ' VAL . 6.3 mt -71.02 114.8 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.15 96.27 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.6 mt -103.89 143.29 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -124.68 116.73 22.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -101.51 91.3 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.568 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 74.63 -129.8 11.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.19 11.86 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.09 137.23 54.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.01 155.18 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 16.0 mtt180 -148.87 -179.71 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 96' ' ' ARG . 78.5 t -156.7 105.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.9 m-85 -107.97 173.99 6.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 11.3 mtp180 -99.29 154.46 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 4.8 mp -59.23 -20.11 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.4 pt-20 -74.22 -24.82 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.9 m-30 -89.61 -15.39 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 87' ' ' LEU . 78.0 t -68.08 117.89 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 175.48 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 56.4 t30 -116.78 -38.2 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 105' ' ' ASN . 1.1 mt-30 -38.93 159.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 9.7 pt-20 -91.73 163.01 14.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -74.67 150.78 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.55 HG22 ' CG ' ' A' ' 112' ' ' GLU . 11.8 t -122.01 160.58 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.04 -32.93 64.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -75.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.55 ' CG ' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -47.97 -40.65 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.2 t80 -55.61 -45.1 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.9 mmt -76.79 -34.25 57.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -65.32 -45.92 82.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.1 t90 -67.3 -43.43 81.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.77 -45.0 39.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.45 -50.48 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.89 71.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.4 mmm -64.25 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.56 -38.51 77.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -36.77 73.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.07 0.59 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.99 32.11 66.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.74 -173.5 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 120' ' ' MET . 8.2 pt20 -127.23 143.53 51.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -89.09 -177.21 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 132.51 15.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 2.9 p -81.08 139.61 35.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.87 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.1 mm? -38.49 -42.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -59.11 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -47.01 62.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.64 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.6 mm -51.74 -50.71 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.64 -59.34 3.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.8 -52.81 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.2 tppt? -58.53 -60.57 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 tp10 -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.8 mm? -42.01 -39.86 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.9 OUTLIER -61.37 -43.68 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -59.8 -49.97 81.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -50.8 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.953 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.916 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.02 154.81 42.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.766 HG22 ' HD2' ' A' ' 128' ' ' PRO . 9.4 m -36.9 97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -67.36 -27.28 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.622 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -132.18 169.65 13.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.95 -15.63 20.75 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 9.3 mt-10 -59.3 -62.05 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 70.3 mm-40 -45.43 -47.53 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.4 tp -60.86 -36.72 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.6 m-20 -65.97 -20.48 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 30.4 mtp180 -74.95 -22.35 58.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 133' ' ' ILE . 33.8 m -119.72 17.26 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -86.5 103.32 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD11 ' HA ' ' A' ' 43' ' ' VAL . 17.3 mt -59.81 176.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.4 p -146.87 140.46 25.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 5.7 ttp85 -36.78 -54.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 32' ' ' ARG . 20.0 m-70 -50.77 -61.23 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -48.19 -44.79 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.786 ' CD1' HG11 ' A' ' 103' ' ' VAL . 40.1 mt -64.54 -42.46 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -24.77 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.651 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 3.0 mtt85 -91.82 -50.27 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.545 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.1 m0 -67.37 -18.98 65.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.38 -17.02 64.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.281 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.2 p80 -106.94 10.47 30.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -109.97 159.9 30.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -82.82 46.28 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' O ' HG22 ' A' ' 43' ' ' VAL . 59.8 t80 -81.38 -73.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.91 -47.5 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -52.08 59.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 48.3 m -64.54 -72.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.95 ' HA ' HD11 ' A' ' 25' ' ' LEU . 17.3 m -37.25 -42.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.9 m -57.87 113.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.36 -1.67 26.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' ' 140' ' ' ILE . 85.3 m -105.24 -175.08 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 12.8 m-85 -132.27 145.97 51.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 25' ' ' LEU . 27.3 m -132.85 145.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.51 110.78 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.3 tp -100.02 153.06 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.94 91.92 0.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.963 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 52' ' ' ILE . 2.5 t . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 26.7 m-85 -141.58 149.8 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' CG ' HD12 ' A' ' 52' ' ' ILE . 8.6 mmp_? -139.72 159.86 41.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 112' ' ' GLU . 55.5 t -102.19 126.82 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -129.38 154.37 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 24.3 tt0 -111.43 140.73 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 8.9 mt -76.08 129.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.516 HG21 ' HB2' ' A' ' 90' ' ' ARG . 2.8 p -113.64 -8.96 13.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.46 -165.76 36.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -138.31 124.34 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.7 m -98.89 179.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.2 pt-20 -133.36 117.5 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -87.5 174.47 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 -32.62 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -94.96 151.27 19.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.862 HG22 ' HB3' ' A' ' 84' ' ' ASN . 12.1 t -110.22 148.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 34.1 p90 -135.89 160.02 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 6.5 tt0 -76.41 149.27 36.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.6 tp -148.41 90.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.78 59.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.73 -40.08 1.86 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 6.1 t -83.87 145.15 28.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.433 ' CD ' HG12 ' A' ' 75' ' ' VAL . 1.1 mtt180 -100.6 113.03 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.488 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 14.7 t -113.4 165.85 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.862 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.1 p-10 -138.89 43.05 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -119.91 122.47 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.723 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.71 113.24 4.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.646 ' C ' HG23 ' A' ' 97' ' ' VAL . 5.7 mt -69.49 112.83 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 1.8 tt0 -76.17 112.52 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.6 mt -115.8 137.32 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.516 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.6 OUTLIER -120.37 116.36 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -105.97 119.55 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.529 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 58.85 -126.22 41.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.78 21.6 11.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.88 133.32 50.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 154.01 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 17.1 mtt180 -160.88 -180.0 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 70' ' ' VAL . 2.9 p -157.96 110.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 50' ' ' ILE . 14.8 m-85 -106.04 179.77 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -94.12 162.01 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.5 mp -65.53 -29.88 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.97 -44.84 87.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -76.82 -20.1 56.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 30' ' ' LEU . 2.9 t -67.68 91.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 161.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -123.04 41.27 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.06 155.89 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.27 132.35 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -50.3 134.31 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.5 t -99.61 155.03 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -50.32 -57.48 7.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.0 t -41.33 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -43.51 -63.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.495 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.2 t80 -36.17 -60.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.09 -55.03 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -39.17 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.3 -49.57 48.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -46.8 -42.07 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -46.97 -51.45 17.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.88 -37.61 69.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.707 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.4 mmm -74.88 -38.28 61.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.33 -28.47 62.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -77.4 -48.43 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.531 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -73.65 -8.33 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.25 77.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mtp -79.85 169.93 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' O ' ' CE ' ' A' ' 120' ' ' MET . 51.8 mt-30 -110.49 152.39 26.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -95.65 -174.14 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.766 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.1 p -80.07 138.88 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.6 mm? -39.35 -33.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -60.03 -53.44 57.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.0 mt-10 -63.99 -35.55 81.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.1 mm -60.16 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.45 -54.82 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -49.5 -48.73 47.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -66.93 -53.02 35.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -40.42 -58.85 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.43 HD13 ' HD3' ' A' ' 141' ' ' LYS . 1.7 mm? -47.45 -50.01 23.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -44.53 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.657 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.88 -56.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.43 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -39.82 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' LYS . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 1.077 ' CG ' HD12 ' A' ' 130' ' ' LEU . 3.2 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.919 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.97 161.72 38.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.69 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.3 m -40.28 98.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -63.25 -30.1 71.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -130.65 171.3 9.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.93 -25.68 11.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.7 mt-10 -53.08 -59.74 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 14.4 mm-40 -47.04 -45.54 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.2 tp -65.61 -26.07 67.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLU . 33.9 m-20 -82.71 -17.1 45.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 4.3 mtt85 -74.09 -29.38 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 133' ' ' ILE . 34.2 m -112.29 25.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' NH2' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -86.43 123.91 32.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 10.3 mt -82.36 161.32 22.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ARG . 26.4 p -135.6 139.7 44.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 6.8 ttp85 -35.47 -50.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -66.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 0.9 OUTLIER -46.15 -34.36 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 25' ' ' LEU . 69.2 mt -70.25 -58.05 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -47.35 -23.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -52.28 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 9.7 m0 -68.48 -11.05 59.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -63.19 -14.07 44.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -108.75 -13.76 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.27 152.16 94.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -85.5 16.96 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 43' ' ' VAL . 51.7 t80 -40.6 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -45.1 -47.28 12.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -54.0 -52.44 60.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' VAL . 74.9 m -62.13 -72.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.735 ' HB ' HD13 ' A' ' 66' ' ' ILE . 35.3 m -38.58 -44.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.0 m -55.92 104.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.81 -27.9 5.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.855 ' SG ' HD11 ' A' ' 140' ' ' ILE . 71.8 m -80.37 159.51 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.603 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 19.0 m-85 -108.87 148.4 30.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.3 m -137.53 150.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 115.07 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.6 tp -103.89 150.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.21 104.33 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 9.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.487 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 34.9 m-85 -151.56 149.9 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 9.4 mmt180 -129.1 139.3 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.496 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 74.6 t -83.94 122.4 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.55 160.04 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 tt0 -122.79 131.03 53.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.735 HD13 ' HB ' ' A' ' 43' ' ' VAL . 46.3 mt -64.51 106.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' GLU . 10.4 p -94.05 9.9 35.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.2 -177.49 25.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.12 121.44 51.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 86' ' ' GLY . 29.7 m -98.35 177.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.46 147.78 45.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.5 p -121.38 176.73 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.51 -29.76 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -96.28 146.53 24.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.9 t -113.45 147.36 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.0 p90 -135.16 164.32 27.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -78.76 150.29 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 81' ' ' THR . 16.0 tp -151.46 88.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.6 19.02 70.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.45 -37.99 3.12 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 78' ' ' LEU . 15.0 t -84.67 146.78 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -105.46 111.72 24.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 t -113.64 166.11 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.917 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.5 p-10 -140.84 40.98 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -112.81 119.48 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.612 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -87.76 116.91 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 103' ' ' VAL . 7.1 mt -70.36 114.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.92 98.79 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.2 mt -109.84 135.4 50.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -119.49 129.23 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -115.1 117.79 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 61.98 -122.69 29.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.68 21.58 15.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.08 137.22 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.65 155.53 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.0 mtt-85 -145.11 177.33 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' ARG . 48.5 t -156.49 100.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 50' ' ' ILE . 54.9 m-85 -103.87 -168.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 99.5 mtt180 -119.41 160.43 22.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.495 ' O ' ' CD ' ' A' ' 27' ' ' ARG . 8.2 mp -62.18 -26.01 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.7 pt-20 -69.25 -17.8 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 20.5 m-30 -103.65 -9.81 18.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' A' ' 30' ' ' LEU . 8.7 t -74.79 94.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 172.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -133.05 37.04 3.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -93.98 175.14 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.455 ' HA ' ' NH2' ' A' ' 24' ' ' ARG . 7.3 pt-20 -89.75 156.67 18.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.47 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.0 m-85 -85.23 78.7 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' PHE . 49.8 p -38.47 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.56 -26.74 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -73.57 -69.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -59.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.1 t80 -39.58 -51.78 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 mmt -69.86 -38.05 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -38.49 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 4.8 t90 -71.88 -43.33 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 108.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -43.34 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -45.88 -49.9 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.67 -41.88 74.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.583 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.7 mmm -70.62 -40.19 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.77 -33.54 68.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -73.19 -41.54 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.37 3.12 25.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.53 37.9 77.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.26 -175.63 3.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.475 ' O ' ' CE ' ' A' ' 120' ' ' MET . 10.9 pt20 -125.29 149.7 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.919 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.57 -172.83 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.69 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.5 Cg_endo -75.0 122.17 7.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 132' ' ' GLU . 10.5 p -62.37 130.95 47.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 1.077 HD12 ' CG ' ' A' ' 12' ' ' GLN . 47.6 mt -44.42 -30.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -45.08 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -65.98 -37.54 86.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.523 HD13 HG21 ' A' ' 23' ' ' VAL . 2.1 mm -55.6 -61.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -51.75 -57.2 9.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -50.69 -51.46 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 140' ' ' ILE . 11.0 tppt? -57.55 -54.43 46.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 27.7 tt0 -38.66 -63.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.3 mm? -41.45 -51.8 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.92 -42.09 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.855 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.0 mp -67.83 -51.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -51.4 -60.77 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.98 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.422 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -60.9 -28.7 69.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -135.18 170.47 11.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.01 -9.75 20.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.5 mt-10 -68.56 -57.89 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 130' ' ' LEU . 32.9 mm-40 -46.52 -43.93 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.5 tp -64.58 -31.42 72.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.8 m-20 -74.06 -17.19 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.99 -26.65 54.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 133' ' ' ILE . 15.7 m -115.18 15.81 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 39.2 ttp85 -81.82 99.6 9.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD21 ' A' ' 30' ' ' LEU . 7.4 mt -54.57 160.89 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.0 t -134.28 132.63 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.1 ttp180 -36.32 -42.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -57.07 -62.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -48.59 -48.12 39.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HD13 ' A' ' 25' ' ' LEU . 10.8 mt -57.99 -55.8 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.75 -23.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -92.59 -51.17 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.951 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.1 m0 -68.66 -8.93 46.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 p -61.11 -15.83 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -113.49 -13.39 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.453 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 9.2 mmt -60.68 157.9 35.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -88.08 30.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 43' ' ' VAL . 15.4 t80 -51.19 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.13 -41.97 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -45.47 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' VAL . 84.7 m -72.88 -71.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 39' ' ' PHE . 5.0 m -35.7 -36.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.5 m -66.38 107.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.37 -21.22 7.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 140' ' ' ILE . 51.5 m -85.72 174.9 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 20' ' ' LEU . 15.6 m-85 -120.89 141.17 50.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 66' ' ' ILE . 33.0 m -132.27 140.36 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 123.13 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 50' ' ' ILE . 5.9 tp -100.42 147.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -113.68 70.11 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.02 HD11 HG12 ' A' ' 60' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.02 HG12 HD11 ' A' ' 52' ' ' ILE . 10.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -142.8 153.18 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -142.29 150.29 40.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.723 HG13 ' CE1' ' A' ' 108' ' ' PHE . 58.9 t -90.25 145.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -151.71 145.53 25.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.0 tt0 -109.26 132.26 54.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.625 ' CD1' HD12 ' A' ' 25' ' ' LEU . 40.2 mt -65.17 131.86 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 90' ' ' ARG . 5.0 p -111.79 -7.66 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.72 -170.57 39.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 67.0 t -132.82 122.22 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 97' ' ' VAL . 18.3 m -98.52 179.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -130.23 117.49 19.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.4 p -85.96 174.25 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.69 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -97.17 154.69 17.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.854 HG22 ' HB3' ' A' ' 84' ' ' ASN . 13.4 t -111.14 144.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 50.7 p90 -132.09 159.34 39.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -77.85 150.67 34.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' THR . 13.8 tp -148.93 90.06 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.62 14.68 60.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.98 -40.71 1.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.5 t -83.86 140.91 31.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.1 mtt180 -101.8 113.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.5 t -112.68 164.29 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.7 p-10 -132.53 38.51 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -120.66 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.589 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -103.83 124.61 8.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 30' ' ' LEU . 6.0 mt -76.23 111.97 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.0 tt0 -76.31 109.7 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 14.8 mt -113.84 123.5 49.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.783 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.5 ttm180 -108.21 116.9 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' ASP . 74.7 t60 -101.47 120.98 41.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.504 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 47.76 -123.9 9.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.81 16.53 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 109.32 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -120.22 138.04 53.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -105.31 141.66 36.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.6 mtt-85 -147.12 172.81 13.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 70' ' ' VAL . 3.1 p -160.36 100.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 27.6 m-85 -99.4 -175.08 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 32.8 mtt180 -101.46 165.52 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 7.6 mp -66.11 -29.81 70.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.4 pt-20 -62.18 -30.63 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.3 m-30 -91.36 -6.18 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 30' ' ' LEU . 14.2 t -80.92 96.31 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -54.62 178.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -138.99 52.5 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 3.9 tt0 -117.49 179.5 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -103.93 139.21 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.723 ' CE1' HG13 ' A' ' 63' ' ' VAL . 13.6 m-85 -60.2 120.15 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.52 150.44 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -39.81 -64.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -39.29 -70.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 55.9 mm-40 -44.53 -63.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 25.3 t80 -37.54 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.02 -33.88 76.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 60.8 mmtt -64.6 -46.45 82.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -65.07 -43.56 91.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -49.13 -46.95 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.15 -53.2 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.42 66.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.543 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 31.3 mmm -65.12 -40.88 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.66 -37.35 79.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -42.72 69.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.63 -0.28 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.44 35.63 73.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -91.58 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.543 ' O ' ' HE1' ' A' ' 120' ' ' MET . 6.0 mt-30 -127.21 146.1 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.3 -176.18 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.98 127.66 10.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.1 p -73.38 136.79 44.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.1 mt -41.04 -39.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -61.32 -50.52 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.2 mt-10 -60.82 -37.94 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.582 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.1 mm -58.04 -54.14 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.91 -56.72 16.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.66 -49.28 38.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.685 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -65.71 -50.06 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 20.9 tt0 -44.05 -60.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.0 mm? -46.46 -47.04 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.5 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.3 mp -65.72 -60.27 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.477 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -41.98 -57.3 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.838 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.842 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 152.21 40.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 128' ' ' PRO . 5.0 m -35.89 135.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.15 -2.31 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -147.64 163.33 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 -5.19 16.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 4.7 mt-10 -73.3 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 34.0 mm-40 -49.13 -39.65 29.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.5 tp -72.01 -23.55 61.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' OD1' ' NH1' ' A' ' 24' ' ' ARG . 42.6 m-20 -81.85 -17.37 47.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 28.0 mtp85 -74.14 -40.09 62.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 14.1 m -103.82 19.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -80.24 133.45 36.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -87.15 157.26 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 48.0 t -133.09 138.24 46.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 8.1 ttp85 -37.8 -45.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.47 -64.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.59 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 7.1 mtmt -47.79 -43.55 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 25' ' ' LEU . 74.5 mt -62.41 -47.26 84.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -23.95 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -50.68 5.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 1.005 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.56 -17.51 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t -66.51 -16.14 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -108.01 7.82 28.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -107.71 159.99 28.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -81.29 47.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 63.5 t80 -82.78 -71.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.585 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.44 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -55.48 -49.06 73.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.7 m -69.39 -71.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.8 m -35.77 -38.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.4 m -64.15 109.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.31 -18.87 13.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 140' ' ' ILE . 98.1 m -80.62 176.98 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 34.5 m-85 -128.8 129.76 46.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.2 m -122.88 152.12 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.34 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 98' ' ' PHE . 5.8 tp -99.18 155.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -118.85 75.41 0.3 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.105 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.576 0.81 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.105 HG12 HD11 ' A' ' 52' ' ' ILE . 18.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 27.9 m-85 -140.78 154.64 46.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.614 ' HG2' HD12 ' A' ' 52' ' ' ILE . 1.8 mmm-85 -135.29 153.73 51.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 108' ' ' PHE . 97.1 t -107.1 121.82 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -126.2 160.53 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 25.3 tt0 -116.78 125.82 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.586 ' CD1' HD12 ' A' ' 25' ' ' LEU . 41.1 mt -62.92 123.31 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.499 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -104.4 -11.81 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.58 -169.51 42.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 43' ' ' VAL . 69.7 t -135.31 123.12 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.7 m -98.89 -179.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.2 pt-20 -134.48 118.63 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -89.5 -176.26 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.07 -28.39 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -93.9 150.57 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.931 HG22 ' HB3' ' A' ' 84' ' ' ASN . 31.1 t -117.56 149.99 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.533 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 41.5 p90 -142.0 158.81 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.23 148.81 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 81' ' ' THR . 14.2 tp -151.54 88.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.45 21.55 70.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.95 -41.52 2.08 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.4 t -84.45 145.17 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mtm-85 -102.21 113.0 25.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -113.23 168.92 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.931 ' HB3' HG22 ' A' ' 75' ' ' VAL . 14.2 p-10 -146.32 32.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -101.93 123.5 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.928 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.91 105.01 3.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -59.04 115.63 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -77.81 96.52 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.502 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.2 mt -97.91 160.07 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HB2' HG21 ' A' ' 67' ' ' THR . 7.7 ttm-85 -139.66 125.6 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' ASP . 85.2 t60 -107.24 90.51 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.31 -110.56 3.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -106.24 21.8 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -130.71 130.35 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 21.5 tt0 -95.41 158.92 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtt180 -152.85 -179.51 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -149.68 106.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 50' ' ' ILE . 91.4 m-85 -110.83 -170.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 3.0 mmt85 -118.99 163.73 16.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -64.67 -36.08 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.9 pt-20 -54.87 -38.68 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.6 m-30 -80.72 -29.78 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 13.2 t -55.49 103.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -54.51 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -146.01 -45.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -41.2 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.472 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.3 mt-10 -64.94 170.34 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 63' ' ' VAL . 2.1 m-85 -84.55 109.44 17.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.0 p -62.51 133.72 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -40.1 -36.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.6 m -68.74 -69.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -38.11 -62.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -44.01 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.5 mmt -48.28 -46.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -50.08 -43.89 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 3.0 t90 -66.98 -48.98 66.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -43.96 -45.96 8.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.39 -53.14 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.76 -44.43 63.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.801 ' HE2' HD23 ' A' ' 127' ' ' LEU . 33.1 mmm -66.88 -41.75 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.31 -36.4 76.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -37.93 63.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.97 1.54 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.29 30.26 61.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.79 178.63 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.495 ' O ' ' HE1' ' A' ' 120' ' ' MET . 3.6 mm-40 -116.98 150.33 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -96.52 -173.42 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.79 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 131.3 14.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -76.44 138.18 40.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.58 -41.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.3 -54.17 47.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.6 mt-10 -56.19 -35.38 67.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.559 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.8 mm -62.06 -59.69 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.05 -56.62 18.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -48.64 -48.64 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 12.1 tppt? -64.42 -45.84 85.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.2 tt0 -44.86 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.1 mm? -41.1 -52.77 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.87 -44.1 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.8 mp -65.35 -57.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -42.23 -59.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.629 ' CG ' HD23 ' A' ' 130' ' ' LEU . 4.6 pt20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.893 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 159.7 40.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 128' ' ' PRO . 3.6 m -36.92 114.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -32.1 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.66 170.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -12.71 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -64.76 -59.62 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 43.1 mm-40 -42.93 -47.56 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 47' ' ' PHE . 11.5 tp -63.55 -39.35 94.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.1 m-20 -60.48 -28.06 68.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 13.6 mtp85 -64.36 -49.38 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.07 25.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 22.9 ttp85 -84.93 82.37 8.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.973 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -41.21 161.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ARG . 78.6 p -131.15 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -36.75 -49.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -61.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 5.9 mtmm -47.95 -46.6 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 25' ' ' LEU . 15.6 mt -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -27.2 67.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.8 mtt180 -90.69 -49.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.943 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.1 m0 -67.86 -16.64 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.58 -15.68 61.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 3.5 p-80 -110.55 4.71 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.478 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.1 mmm -99.29 160.52 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.766 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -80.75 47.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 43' ' ' VAL . 67.3 t80 -81.01 -73.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -51.15 -47.09 62.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -48.98 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' VAL . 52.2 m -69.3 -72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.752 ' HA ' HD11 ' A' ' 25' ' ' LEU . 6.5 m -36.36 -37.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -61.67 105.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.47 -21.39 7.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.78 167.2 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.8 m-85 -116.05 148.16 40.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 66' ' ' ILE . 28.0 m -129.88 150.2 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -94.36 107.48 19.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.1 tp -100.52 153.68 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.19 105.06 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.014 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.014 HG22 HD11 ' A' ' 52' ' ' ILE . 14.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 40.1 m-85 -151.34 157.38 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -135.99 122.71 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 70.5 t -77.46 133.04 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -143.61 164.76 29.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 3.7 tt0 -120.33 133.83 55.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 ' CG1' ' A' ' 48' ' ' VAL . 35.0 mt -67.55 106.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 p -93.62 7.35 45.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.8 -176.79 29.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -128.24 124.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 HG11 ' A' ' 97' ' ' VAL . 28.4 m -99.4 -177.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 6.4 pt-20 -141.73 124.8 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -99.13 168.93 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.95 -33.82 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.7 tptm -95.1 148.5 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.86 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.5 t -110.57 144.6 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 30.0 p90 -126.78 156.35 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -70.03 145.79 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 81' ' ' THR . 15.6 tp -146.99 92.95 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.37 15.03 60.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.86 -37.72 3.01 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.8 t -84.82 144.29 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -95.65 113.1 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.592 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.4 t -112.81 167.76 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.86 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.2 p-10 -140.23 14.07 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE3' HG12 ' A' ' 69' ' ' VAL . 5.4 mtpp -101.19 103.52 14.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.68 144.52 24.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 15.0 mt -86.38 122.73 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.36 95.69 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.5 mt -98.64 141.55 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -126.36 116.56 21.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -100.61 93.61 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.597 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.495 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 76.34 -126.97 8.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.07 14.61 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.76 134.64 54.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 35.2 tt0 -99.14 156.57 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' LEU . 37.2 mtt85 -151.8 -178.9 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 70' ' ' VAL . 25.5 t -150.85 109.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 50' ' ' ILE . 69.0 m-85 -113.0 155.05 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 17.1 mtt180 -79.14 160.49 26.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.8 mp -68.33 -37.7 80.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 9.9 pt-20 -53.92 -29.03 40.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-30 -82.8 -30.66 28.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 39.1 t -55.85 115.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.42 174.7 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -114.18 -37.1 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.58 167.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.404 ' HA ' ' CD ' ' A' ' 24' ' ' ARG . 2.0 mt-10 -94.65 160.08 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -65.9 158.47 27.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 t -130.35 146.7 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -39.44 -53.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 m -43.19 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -46.4 -63.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.545 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.8 t80 -36.22 -52.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.55 -44.46 78.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -59.02 -42.12 89.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 5.1 t90 -68.65 -47.61 66.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.007 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -43.31 16.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.71 -50.43 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.07 -36.59 63.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.757 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.5 mmm -74.78 -38.95 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.85 -32.58 67.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -73.89 -43.69 57.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.53 2.6 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 55.43 39.12 72.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.12 -174.0 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.486 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.9 mt-30 -126.44 149.04 49.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.893 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.23 -172.42 0.32 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.99 131.32 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -74.57 134.24 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 12' ' ' GLN . 3.5 mm? -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.99 -56.52 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' THR . 48.9 mm-40 -53.24 -39.83 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.499 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.4 mm -55.7 -60.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.45 -53.64 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -48.5 -47.85 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -65.21 -57.98 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.1 tp10 -41.12 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.8 OUTLIER -43.3 -37.18 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -64.39 -42.68 96.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.569 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -58.33 -45.76 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -57.57 12.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.947 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 100.89 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.7 m 23.23 88.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.439 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -59.31 -28.83 67.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.83 170.88 9.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.0 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.2 -55.75 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 130' ' ' LEU . 23.0 mm-40 -49.07 -44.02 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 47' ' ' PHE . 7.6 tp -65.41 -31.2 72.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.78 -25.2 62.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.3 mtp-105 -64.74 -46.49 82.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 133' ' ' ILE . 30.1 m -91.31 23.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -78.85 104.4 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.92 HD11 ' HA ' ' A' ' 43' ' ' VAL . 13.6 mt -66.5 164.15 17.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 p -133.17 138.03 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.0 ttp180 -39.26 -53.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 9.9 m80 -48.78 -64.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -43.65 -43.25 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.601 ' CD1' HG11 ' A' ' 103' ' ' VAL . 22.8 mt -66.14 -41.3 90.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -61.54 -26.55 68.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -91.26 -49.93 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.543 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.0 m0 -67.49 -16.98 64.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.75 -17.58 61.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 5.7 t-80 -108.83 5.54 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 17.6 mmm -97.23 160.78 28.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -51.7 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -83.02 45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.864 ' O ' HG22 ' A' ' 43' ' ' VAL . 58.4 t80 -74.54 -64.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -60.3 -45.04 94.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.26 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' THR . 69.1 m -67.02 -72.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.92 ' HA ' HD11 ' A' ' 25' ' ' LEU . 33.1 m -36.96 -33.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.3 m -66.68 118.47 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.38 11.06 28.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.5 m -117.32 -172.74 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CD1' HD11 ' A' ' 20' ' ' LEU . 29.1 m-85 -140.68 139.77 34.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 66' ' ' ILE . 4.2 m -126.63 153.17 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.26 110.97 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 102' ' ' PHE . 4.5 tp -100.15 151.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.57 87.55 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.637 HG23 HG12 ' A' ' 52' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -154.5 141.63 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HG3' HG22 ' A' ' 50' ' ' ILE . 6.8 ptp180 -131.98 139.8 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 46.4 t -67.95 144.41 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -146.1 123.66 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 33.9 tt0 -86.08 130.01 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.23 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 48' ' ' VAL . 6.8 mt -80.16 122.92 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.7 p -107.48 -14.2 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.94 -170.57 43.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 54.6 t -130.99 129.14 63.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 97' ' ' VAL . 27.2 m -100.78 -177.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.7 pt-20 -141.89 119.77 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.7 p -89.25 170.33 10.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.28 -34.94 20.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.34 148.72 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.936 HG22 ' HB3' ' A' ' 84' ' ' ASN . 37.1 t -108.1 148.89 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 31.4 p90 -132.09 157.49 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.44 143.9 49.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 20.3 tp -141.94 85.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.06 15.63 69.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.9 -40.95 1.84 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.53 146.13 27.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.578 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.2 mtt180 -100.41 112.34 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 75' ' ' VAL . 14.6 t -114.0 167.43 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.936 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.7 p-10 -143.87 42.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -129.12 92.76 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.92 151.82 49.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.732 HD12 HG21 ' A' ' 103' ' ' VAL . 13.7 mt -88.74 119.98 29.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -77.85 95.62 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.957 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 22.8 mt -100.04 136.1 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . 14.0 ttp180 -110.46 116.14 30.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -102.87 123.36 46.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.484 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.21 -105.82 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.09 -8.92 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 166.37 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.04 156.54 26.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -141.52 -178.18 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 96' ' ' ARG . 18.0 t -157.33 110.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 50' ' ' ILE . 87.6 m-85 -115.72 158.37 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 14.8 mtt-85 -82.47 162.96 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.4 mp -70.99 -19.33 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.6 pt-20 -74.58 -12.81 60.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.735 ' O ' HD12 ' A' ' 50' ' ' ILE . 17.9 m-85 -110.96 17.57 20.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.732 HG21 HD12 ' A' ' 87' ' ' LEU . 3.3 t -104.12 98.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -67.15 171.31 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 104' ' ' SER . 6.4 m-20 -133.86 67.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -129.11 175.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.72 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.34 145.58 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 112' ' ' GLU . 14.8 t -107.82 136.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -38.22 -40.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.58 ' H ' HG23 ' A' ' 109' ' ' THR . 5.1 pt-20 -48.19 -44.84 33.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.0 t80 -53.68 -48.6 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 mmt -72.71 -37.27 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 t90 -69.82 -45.38 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -48.81 -45.65 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' CA ' ' A' ' 92' ' ' GLY . . . -54.81 -45.47 74.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -66.42 -38.93 88.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.18 -37.32 72.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -37.84 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.76 32.18 78.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.484 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.64 -171.11 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.512 ' O ' ' HE1' ' A' ' 120' ' ' MET . 67.1 mt-30 -127.29 146.06 50.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.32 -175.38 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.585 ' CD ' ' HB3' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 126.67 10.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.5 p -72.85 135.88 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.7 mt -41.23 -40.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -60.39 -43.47 96.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.562 HG23 HG13 ' A' ' 23' ' ' VAL . 1.4 mm -52.72 -56.81 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.6 -64.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -44.2 -57.61 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -49.23 -63.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.473 ' HA ' HD13 ' A' ' 140' ' ' ILE . 2.7 tp10 -38.4 -57.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.51 HD13 ' NZ ' ' A' ' 141' ' ' LYS . 4.2 mm? -42.27 -43.74 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -56.24 -42.15 76.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.543 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -61.34 -56.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.51 ' NZ ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -41.04 -63.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.927 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.2 m 22.43 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -56.5 -30.82 63.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.758 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -137.91 174.01 4.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.94 -6.26 17.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -71.0 -58.93 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.758 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.7 mt-10 -46.73 -46.78 20.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 47' ' ' PHE . 10.1 tp -62.3 -27.25 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.0 m-20 -82.01 -25.01 35.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.6 mtp180 -68.65 -8.11 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 133' ' ' ILE . 16.7 m -134.56 30.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 23.2 ptt180 -86.18 111.71 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 4.8 mt -67.65 151.46 47.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ARG . 1.7 p -123.62 131.7 53.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 10.5 ttp-105 -35.32 -46.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -51.85 -61.55 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 8.7 mtmt -51.88 -41.02 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 25' ' ' LEU . 68.8 mt -63.95 -44.68 92.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -30.52 70.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -85.53 -50.91 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 8.7 m0 -66.9 -16.74 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -65.64 -17.63 64.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 3.4 p80 -107.79 9.74 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.494 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -105.98 160.1 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -81.46 47.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 43' ' ' VAL . 62.5 t80 -79.95 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.38 -46.31 47.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -48.66 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 93.1 m -69.69 -72.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.605 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.9 m -37.03 -35.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.7 m -63.34 106.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.62 -18.91 9.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.3 m -82.88 168.15 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 20' ' ' LEU . 30.7 m-85 -122.94 130.34 52.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.9 m -123.36 147.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 110.86 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.8 tp -101.02 150.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.71 121.13 5.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 52' ' ' ILE . 1.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.07 161.83 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 50' ' ' ILE . 10.5 mmt180 -142.17 126.34 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 108' ' ' PHE . 76.0 t -73.01 127.01 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -132.48 158.42 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 11.8 tt0 -122.69 124.29 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 43' ' ' VAL . 29.0 mt -63.32 114.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -99.99 4.05 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.59 -173.32 33.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 79.7 t -131.79 123.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 86' ' ' GLY . 17.7 m -98.69 -177.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -137.88 117.19 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 p -91.28 -177.31 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.39 -28.74 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 156.4 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.835 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.9 t -120.59 149.69 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 32.1 p90 -136.15 161.1 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -79.41 152.18 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 25.5 tp -148.31 72.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.51 30.65 59.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.62 -41.35 2.25 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 7.4 t -83.45 141.69 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mmt85 -106.17 113.58 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 76' ' ' TYR . 12.9 t -112.94 168.61 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.835 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.1 p-10 -137.84 25.93 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -98.72 117.5 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -89.82 110.13 3.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -64.87 117.89 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.577 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -77.89 95.57 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.598 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.8 mt -99.93 129.22 45.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -108.98 134.03 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -124.34 132.8 53.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.57 -102.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.39 18.85 6.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.54 143.88 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.71 154.01 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.527 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 5.5 mtt-85 -144.41 176.29 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.88 105.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 50' ' ' ILE . 77.3 m-85 -111.21 164.01 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.24 145.89 25.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.1 mp -52.15 -33.36 39.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 5.8 pt-20 -56.5 -33.26 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.4 m-30 -85.69 -21.1 28.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.778 HG11 ' CD1' ' A' ' 30' ' ' LEU . 3.8 t -67.51 101.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.7 m -78.6 158.64 28.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -118.66 69.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.06 172.3 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.39 139.2 30.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 63' ' ' VAL . 22.6 m-85 -67.16 127.65 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 112' ' ' GLU . 3.5 t -92.45 145.53 24.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 30.8 tt0 -36.57 -58.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -43.03 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' H ' HG23 ' A' ' 109' ' ' THR . 65.2 mm-40 -42.4 -63.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 21.1 t80 -36.89 -63.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -60.46 -41.39 94.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.72 -41.7 87.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -70.24 -45.17 67.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.33 -44.82 34.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -44.25 -50.48 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.66 75.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.519 ' CE ' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.22 -40.17 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.07 -38.32 85.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -38.87 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.028 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.96 41.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.38 62.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -170.58 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' O ' ' HE1' ' A' ' 120' ' ' MET . 2.7 mm-40 -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -90.45 -177.9 0.86 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -74.99 133.77 17.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.32 138.46 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 19' ' ' GLU . 8.5 mt -43.97 -37.96 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.23 -44.1 97.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.5 mt-10 -68.3 -42.19 79.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.592 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -54.97 -48.46 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.56 -59.87 3.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -47.85 -51.12 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.2 tppt? -57.33 -61.15 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.524 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.2 tp10 -42.7 -55.83 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 138' ' ' LEU . 0.4 OUTLIER -44.81 -36.54 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.68 -39.17 93.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.51 -45.62 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -63.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.989 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.951 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.97 106.91 2.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.22 90.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -58.6 -30.11 66.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -136.54 171.31 8.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 71.7 mm-40 -67.52 -51.82 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 133' ' ' ILE . 51.8 mm-40 -52.81 -37.77 60.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.8 tp -73.42 -19.98 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.534 ' OD1' ' CD2' ' A' ' 108' ' ' PHE . 19.8 m-20 -85.4 -16.9 38.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 9.1 mtp-105 -69.5 -49.62 52.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.69 26.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.9 ttm-85 -81.14 103.69 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.737 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -67.19 155.62 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' ARG . 34.6 p -124.97 138.6 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -37.1 -56.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 94.3 m-70 -45.99 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -43.09 -48.7 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 25' ' ' LEU . 16.0 mt -59.16 -64.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -35.43 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -82.33 -51.65 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.737 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.5 m0 -68.05 -14.2 62.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -67.41 -10.13 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.66 4.17 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 37.1 mmm -97.75 160.63 28.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -84.26 45.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CE1' HG11 ' A' ' 43' ' ' VAL . 12.8 t80 -79.1 -72.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -49.2 -53.67 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -56.17 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' VAL . 79.4 m -62.57 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.2 m -35.85 -43.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.8 m -54.59 106.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -25.26 7.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.6 m -76.89 169.37 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 20' ' ' LEU . 21.0 m-85 -124.91 138.47 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.75 144.89 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -84.18 113.46 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -101.03 151.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.61 107.58 1.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 12.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.26 140.22 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.1 mmp_? -123.52 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.422 HG22 ' CE1' ' A' ' 108' ' ' PHE . 51.9 t -75.24 133.27 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.758 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.32 154.45 47.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -123.12 133.23 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 43' ' ' VAL . 44.1 mt -66.13 109.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -95.75 4.31 53.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.82 -164.71 32.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.626 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 52.2 t -142.28 122.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.733 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 86' ' ' GLY . 33.2 m -98.78 -175.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.6 pt-20 -136.9 121.58 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 77.4 p -93.33 -179.77 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.66 -28.86 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -90.33 149.56 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 84' ' ' ASN . 9.5 t -114.22 147.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 28.1 p90 -140.87 154.67 46.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 19.1 tt0 -70.91 147.94 48.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 81' ' ' THR . 8.2 tp -154.66 86.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.43 82.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.03 -40.83 2.29 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.5 t -83.82 144.85 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mtt180 -110.15 111.38 22.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.0 t -114.27 141.3 47.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.679 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.1 p-10 -107.15 22.41 16.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 69' ' ' VAL . 2.0 mttp -88.23 162.87 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -135.26 121.6 2.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.444 HD12 HG21 ' A' ' 103' ' ' VAL . 8.3 mt -76.7 118.11 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' C ' HD23 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -80.2 101.19 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.758 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -109.99 125.7 53.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -111.34 135.3 52.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -117.99 92.3 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.493 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 81.53 -120.93 5.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -102.16 22.13 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 126.46 31.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -91.9 153.57 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 1.1 mtt-85 -143.15 179.98 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.1 t -153.16 107.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.0 m-85 -109.47 -170.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 49.3 mmt-85 -117.54 163.03 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 78' ' ' LEU . 4.7 mp -65.53 -37.58 87.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 10.9 pt-20 -55.55 -27.34 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.555 ' O ' HD12 ' A' ' 50' ' ' ILE . 15.2 m-85 -102.79 14.68 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.7 t -102.45 96.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -91.84 157.06 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' GLN . 15.1 m-20 -91.53 -66.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER 37.29 -154.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.4 pt-20 -132.2 152.35 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.1 m-85 -84.08 100.03 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 112' ' ' GLU . 9.8 t -71.04 136.58 48.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' THR . 18.9 tt0 -36.44 -49.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -45.71 -72.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' H ' HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -44.07 -64.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 30.1 t80 -37.66 -46.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.92 -38.87 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 3.6 mmmt -63.21 -40.07 96.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 3.8 t90 -70.38 -45.51 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -47.39 -46.28 25.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -42.97 -51.62 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.97 -44.54 70.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.464 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.5 mmm -67.58 -41.32 84.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.88 -34.86 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -39.07 63.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.75 4.64 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.91 37.24 57.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.9 -173.9 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.439 ' O ' ' HE1' ' A' ' 120' ' ' MET . 13.3 pt20 -126.39 145.2 50.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.951 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.12 -178.3 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 130.51 13.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.0 p -81.29 138.97 35.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -40.82 -30.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -67.59 -52.41 38.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -60.88 -42.34 97.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.581 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -53.96 -54.32 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -62.32 -59.64 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 10.9 pttt -47.15 -50.41 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.4 tppt? -57.43 -61.35 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.0 tp10 -43.5 -56.78 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -44.89 -32.17 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -68.58 -42.32 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.531 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -60.74 -50.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -66.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.971 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.884 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 156.64 42.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 128' ' ' PRO . 11.2 m -45.89 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -22.98 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.575 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.96 167.53 21.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.01 -8.56 20.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.8 mt-10 -68.18 -61.83 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 14' ' ' VAL . 80.2 mm-40 -48.44 -41.31 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.0 tp -68.54 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' GLU . 6.3 m-20 -79.11 -13.77 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -78.9 -6.34 55.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 133' ' ' ILE . 3.1 m -132.01 17.81 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.1 ptt85 -73.69 116.56 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -76.82 156.03 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ARG . 84.5 p -119.66 134.7 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' CZ ' ' CB ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -37.83 -55.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -46.84 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 16.1 mttp -42.8 -43.75 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 25' ' ' LEU . 30.4 mt -62.81 -50.76 69.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 1.5 tt0 -56.94 -37.15 71.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -50.71 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.644 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.5 m0 -67.72 -15.81 63.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -64.99 -11.85 43.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 108.281 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -114.17 5.43 15.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.1 mmm -100.72 160.38 26.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -81.54 47.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 43' ' ' VAL . 10.9 t80 -82.76 -72.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.37 -55.06 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -55.92 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 m -59.23 -74.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.793 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.8 m -39.28 -40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.536 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 8.4 m -58.94 106.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.29 -10.37 9.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 140' ' ' ILE . 63.7 m -94.07 170.36 9.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 m-85 -123.44 128.13 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 25' ' ' LEU . 32.8 m -120.14 153.01 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.32 111.59 23.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.555 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -100.44 150.22 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.23 105.33 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 52' ' ' ILE . 9.4 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -153.02 142.93 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.585 ' CG ' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -127.05 127.82 45.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.481 HG22 ' CE1' ' A' ' 108' ' ' PHE . 71.7 t -67.62 129.11 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.72 148.63 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 20.0 tt0 -113.66 131.73 56.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 ' HB ' ' A' ' 43' ' ' VAL . 38.7 mt -63.07 116.44 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.1 p -96.31 -8.42 32.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.33 -171.95 39.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.603 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 55.6 t -130.5 121.06 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.3 m -98.33 -176.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.2 pt-20 -137.54 118.11 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.5 p -88.62 171.96 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.91 -32.83 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.82 157.21 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.818 HG22 ' HB3' ' A' ' 84' ' ' ASN . 26.6 t -117.56 147.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 36.3 p90 -133.57 157.72 44.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.6 155.04 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 100' ' ' LEU . 9.0 tp -159.08 90.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.99 13.03 63.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 -34.61 3.99 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 1.7 t -84.22 151.7 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -107.41 113.28 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.574 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.1 t -111.82 165.31 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.818 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.4 p-10 -135.99 11.6 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -93.48 129.08 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.801 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.21 116.54 5.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 30' ' ' LEU . 5.6 mt -68.09 112.28 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.2 tt0 -77.26 110.2 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -118.73 140.64 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' A' ' 67' ' ' THR . 0.5 OUTLIER -114.17 156.88 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -134.87 99.86 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.53 -120.89 16.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -93.67 19.11 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.06 168.11 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.13 149.28 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 15.0 mtt85 -153.08 -179.84 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.716 HG21 HG21 ' A' ' 70' ' ' VAL . 2.8 p -164.51 107.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 16.2 m-85 -103.71 -167.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 103' ' ' VAL . 6.7 mtt180 -108.61 168.5 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 78' ' ' LEU . 5.6 mp -66.48 -35.46 80.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.7 pt-20 -57.73 -39.8 78.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.0 m-30 -79.68 -17.77 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 30' ' ' LEU . 20.4 t -72.85 127.27 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.4 m -103.12 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -132.0 76.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.98 167.51 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.22 119.22 21.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 63' ' ' VAL . 7.7 m-85 -49.02 122.88 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HB2' ' A' ' 112' ' ' GLU . 11.3 t -83.75 158.35 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.34 -58.69 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.485 ' HB2' HG22 ' A' ' 109' ' ' THR . 0.3 OUTLIER -47.49 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 38.2 t80 -34.74 -58.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.91 -42.84 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 112' ' ' GLU . 36.8 mmtt -55.68 -38.85 70.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.74 -45.24 68.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 121' ' ' PHE . 0.6 OUTLIER -50.39 -42.45 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -45.85 -53.02 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.15 -40.59 67.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.917 ' HE2' HD23 ' A' ' 127' ' ' LEU . 30.4 mmm -71.28 -37.8 71.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 117' ' ' LYS . 3.9 m-85 -70.34 -33.71 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -77.86 -45.06 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -10.83 60.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.72 8.54 72.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.0 mtp -77.32 149.97 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.0 pt20 -90.84 157.63 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.917 HD23 ' HE2' ' A' ' 120' ' ' MET . 0.1 OUTLIER -96.27 -172.78 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.02 130.2 13.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -80.46 138.68 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.5 mm? -41.46 -30.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -51.86 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.3 mt-10 -62.65 -41.36 99.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 23' ' ' VAL . 1.1 mm -57.56 -52.75 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.82 -59.74 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -48.81 -49.9 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.6 tppt? -56.69 -58.92 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.0 OUTLIER -40.43 -61.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 141' ' ' LYS . 0.9 OUTLIER -40.99 -45.98 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -43.76 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -59.85 -54.6 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -43.13 -64.99 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.936 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.626 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 24.04 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -33.54 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.63 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.92 173.49 5.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.02 -8.5 20.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.5 mt-10 -70.02 -53.89 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 57.9 mm-40 -50.08 -35.52 25.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.628 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.1 tp -73.75 -24.15 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.7 m-20 -79.61 -19.39 49.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.08 -34.01 65.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.494 HG21 HD13 ' A' ' 133' ' ' ILE . 20.3 m -111.04 19.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 28.3 ttp85 -81.18 99.32 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.002 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -53.43 158.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' ARG . 95.5 p -129.4 128.7 43.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 3.7 ttp-105 -35.83 -38.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 14.1 m170 -63.03 -58.95 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 8.1 mtmm -51.67 -39.22 57.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 25' ' ' LEU . 20.5 mt -64.59 -55.82 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.41 -23.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 28' ' ' HIS . 1.9 mtt-85 -92.0 -50.71 5.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.956 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.7 m0 -68.87 -9.55 52.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -59.65 -16.31 25.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -18.34 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 9.1 mmt -56.4 152.77 22.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.1 p90 -83.75 12.72 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.801 ' CE1' HG11 ' A' ' 43' ' ' VAL . 38.9 t80 -35.39 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -46.31 -46.22 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -54.0 -49.93 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 43' ' ' VAL . 20.3 m -67.65 -71.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.3 m -37.44 -35.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -66.58 111.04 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.82 -6.41 24.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.838 ' SG ' HD11 ' A' ' 140' ' ' ILE . 9.2 m -93.13 -177.09 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.628 ' CG ' HD11 ' A' ' 20' ' ' LEU . 38.2 m-85 -135.12 135.56 41.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' HB ' HG13 ' A' ' 103' ' ' VAL . 9.2 m -134.06 155.23 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 120.12 30.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.77 154.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.67 85.3 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.927 HD11 HG21 ' A' ' 60' ' ' VAL . 38.7 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.43 0.724 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.927 HG21 HD11 ' A' ' 52' ' ' ILE . 11.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.17 137.7 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.8 mtt180 -135.41 126.95 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.062 HG22 ' CE1' ' A' ' 108' ' ' PHE . 91.3 t -58.78 143.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.07 152.17 40.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.85 128.78 56.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 29.6 mt -73.29 110.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 18.2 p -90.99 -9.17 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.31 -165.06 38.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.1 124.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 86' ' ' GLY . 24.5 m -98.54 -177.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.4 pt-20 -134.57 116.49 15.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -84.22 166.86 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.57 -42.17 18.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -110.09 139.8 44.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.886 HG12 ' HB3' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -87.51 153.12 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 10.0 p90 -120.8 173.87 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.67 135.85 34.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 31.3 tp -127.0 59.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.75 -30.56 4.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.95 -44.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -84.92 144.58 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -103.27 111.3 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.2 t -117.4 143.67 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.886 ' HB3' HG12 ' A' ' 75' ' ' VAL . 3.3 p-10 -105.63 32.18 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -101.02 145.68 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -123.19 116.92 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 103' ' ' VAL . 6.6 mt -70.9 115.33 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.508 HE21 HG13 ' A' ' 70' ' ' VAL . 1.7 tt0 -79.22 95.54 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.754 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.2 mt -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 4.2 ttt85 -121.12 155.42 34.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -149.95 115.5 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 63.56 -105.2 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -124.8 10.61 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.57 155.11 28.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 96' ' ' ARG . 9.3 tt0 -108.18 155.16 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 42.4 mtt85 -143.08 175.53 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 t -147.26 105.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 85.6 m-85 -110.47 -171.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.58 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 4.9 mmt85 -121.86 160.66 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.1 mp -61.06 -33.18 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.0 pt-20 -61.61 -24.48 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.23 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.7 m-30 -98.72 -1.97 39.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 87' ' ' LEU . 15.0 t -86.27 91.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 163.78 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 106' ' ' GLN . 11.2 p30 -112.86 -160.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 11.8 tt0 78.36 166.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.433 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 2.3 mt-10 -78.37 142.48 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 1.062 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.1 m-85 -49.9 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.2 p -125.72 137.15 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -47.76 -29.25 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t -73.26 -69.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -41.44 -46.55 3.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.5 t80 -50.94 -49.34 60.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.4 mmt -71.83 -40.45 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 t90 -67.91 -46.69 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.28 -48.28 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -40.88 -52.44 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.59 -42.99 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.807 ' HE2' HD23 ' A' ' 127' ' ' LEU . 27.2 mmm -69.18 -40.12 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.29 -33.04 74.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -77.25 -42.91 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.78 -3.16 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.29 28.59 67.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -87.26 -172.16 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CE ' ' A' ' 120' ' ' MET . 5.7 mm-40 -126.77 148.49 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.906 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.04 -177.54 0.75 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.99 -29.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -68.69 -52.06 34.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.0 mm-40 -62.16 -38.55 89.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.626 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -59.76 -49.96 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.25 -60.28 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -49.07 -49.41 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.7 tppt? -59.84 -53.21 60.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 140' ' ' ILE . 36.7 tt0 -43.36 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.559 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.6 mm? -42.82 -46.61 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -41.34 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.838 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -66.56 -49.78 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.559 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -46.83 -59.02 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.994 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.923 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.92 110.38 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 19.66 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -32.93 63.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -133.44 173.05 6.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -8.92 20.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.4 mt-10 -68.79 -62.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 56.7 mm-40 -42.11 -45.76 4.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 128' ' ' PRO . 6.5 tp -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.2 m-20 -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -63.92 -29.77 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 133' ' ' ILE . 25.3 m -115.65 28.58 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.41 103.35 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 30' ' ' LEU . 9.3 mt -55.56 163.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 68.8 m -139.19 139.72 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 6.8 ttp85 -36.94 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 17.2 mttp -44.89 -36.92 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 25' ' ' LEU . 91.1 mt -70.75 -46.09 63.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -25.15 66.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.84 -51.07 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.919 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.8 -16.42 64.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.46 -16.45 63.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -108.99 4.81 23.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.0 mmm -101.04 159.32 29.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -83.08 45.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' O ' HG13 ' A' ' 43' ' ' VAL . 58.9 t80 -79.74 -69.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.566 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.83 -45.23 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -49.1 73.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' THR . 45.6 m -69.43 -71.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.883 ' HA ' HD11 ' A' ' 25' ' ' LEU . 7.6 m -36.4 -34.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.2 m -68.05 108.69 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.84 -11.78 17.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' ' 140' ' ' ILE . 15.8 m -96.37 156.84 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.6 m-85 -98.74 156.06 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 66' ' ' ILE . 17.0 m -145.3 146.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 113.66 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -101.23 150.06 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.01 105.54 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.078 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.078 HG22 HD11 ' A' ' 52' ' ' ILE . 12.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -153.55 151.81 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.721 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.0 mmp_? -133.93 123.53 24.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.841 HG22 ' CE1' ' A' ' 108' ' ' PHE . 49.5 t -80.91 128.83 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -137.41 152.94 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.46 126.55 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.579 ' CD1' HD12 ' A' ' 25' ' ' LEU . 14.6 mt -62.18 131.14 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 p -112.58 0.44 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.2 -171.19 35.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 85' ' ' LYS . 77.5 t -134.02 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 86' ' ' GLY . 19.1 m -99.32 -176.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.3 pt-20 -136.32 119.06 16.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -92.72 -172.03 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.28 -29.07 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -94.81 149.01 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 84' ' ' ASN . 23.7 t -118.3 151.27 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 29.2 p90 -141.38 157.79 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 39.7 tt0 -69.97 151.55 45.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' THR . 12.6 tp -152.71 92.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 62.66 16.39 55.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.91 -41.85 1.78 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 78' ' ' LEU . 12.6 t -83.83 144.77 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mmm-85 -102.44 113.16 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -113.08 167.98 10.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.6 p-10 -140.13 14.77 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HD3' HG11 ' A' ' 69' ' ' VAL . 31.7 mttt -84.62 123.0 29.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.844 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -93.26 106.63 3.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 103' ' ' VAL . 7.0 mt -61.98 115.15 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 97' ' ' VAL . 1.7 tt0 -78.41 96.01 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 87' ' ' LEU . 6.3 mt -95.48 157.43 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.4 115.63 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' ASP . 48.2 t60 -100.68 106.15 17.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.579 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.67 -123.06 32.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.83 21.54 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.4 OUTLIER -128.85 131.77 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.16 152.77 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 11.5 mtt180 -150.19 -179.19 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 88' ' ' GLN . 71.6 t -153.67 109.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 50' ' ' ILE . 73.5 m-85 -113.13 -169.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 26.5 mtt180 -115.11 168.38 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.4 mp -67.07 -37.21 83.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.2 pt-20 -54.19 -42.53 69.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.6 m-85 -77.5 -23.85 50.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 30' ' ' LEU . 5.8 t -65.49 94.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -111.49 -33.79 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -48.55 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.18 159.38 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.841 ' CE1' HG22 ' A' ' 63' ' ' VAL . 8.0 m-85 -65.1 142.72 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 112' ' ' GLU . 10.9 t -117.79 156.07 28.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 111' ' ' SER . 40.2 tt0 -43.54 -66.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -38.2 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 109' ' ' THR . 6.2 mm-40 -41.8 -65.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 31.9 t80 -38.05 -50.04 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.6 mmt -71.52 -36.69 71.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 112' ' ' GLU . 45.3 mmtt -62.41 -45.55 92.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.494 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -66.29 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.7 OUTLIER -42.5 -48.0 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.48 -49.61 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.09 69.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.705 ' HE2' HD23 ' A' ' 127' ' ' LEU . 20.4 mmm -69.94 -40.33 75.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.46 -34.27 75.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -74.5 -42.18 59.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.11 -2.14 39.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.68 38.89 94.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.77 -173.9 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.513 ' O ' ' CE ' ' A' ' 120' ' ' MET . 68.1 mt-30 -126.24 149.1 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.77 -175.86 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.01 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.5 p -71.76 140.87 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -43.04 -36.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -45.29 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -65.92 -38.76 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.571 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -57.48 -70.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASN . . . . . 0.534 ' CA ' ' HG3' ' A' ' 137' ' ' GLU . 8.5 t-20 -36.13 -60.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -49.92 -44.26 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 133' ' ' ILE . 15.6 tppt? -63.16 -59.02 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 133' ' ' ILE . 3.3 mt-10 -33.58 -52.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -42.0 -62.63 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.8 t -40.01 -34.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.701 HG23 ' HH2' ' A' ' 33' ' ' TRP . 4.8 mp -84.99 -51.92 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.51 ' HD2' ' CB ' ' A' ' 137' ' ' GLU . 1.3 mttp -48.7 -42.33 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.796 ' O ' HD22 ' A' ' 130' ' ' LEU . 2.1 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.939 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 Cg_endo -75.04 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 22.97 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -34.34 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -135.92 173.67 5.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.02 -17.92 19.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -61.98 -49.42 76.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.74 ' CD ' HD12 ' A' ' 130' ' ' LEU . 34.6 mm-40 -50.75 -40.86 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HG2' ' A' ' 128' ' ' PRO . 7.7 tp -68.41 -21.44 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 2.1 m-20 -84.03 -10.14 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 11.2 mtp180 -87.16 1.14 53.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 133' ' ' ILE . 8.4 m -147.85 20.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -81.46 82.58 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -38.39 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' ARG . 32.3 t -127.59 134.47 49.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -37.32 -44.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -60.89 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -50.54 -44.32 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 25' ' ' LEU . 25.1 mt -61.46 -44.19 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -30.68 69.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.2 mtt180 -85.14 -49.68 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.816 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.9 m0 -68.01 -14.89 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.05 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -65.76 -18.07 65.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 4.4 p-80 -107.49 5.04 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 mmm -100.56 159.71 28.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -82.62 46.04 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.648 ' O ' HG13 ' A' ' 43' ' ' VAL . 57.1 t80 -79.05 -72.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.604 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.14 -45.43 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.23 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 136' ' ' LYS . 78.1 m -70.16 -72.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.778 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.0 m -35.51 -38.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.5 m -62.41 110.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.02 -4.03 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 140' ' ' ILE . 1.6 m -95.23 179.55 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.7 m-85 -130.31 140.26 50.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.578 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.8 m -136.55 146.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -85.84 112.69 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -102.33 148.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.58 103.27 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 52' ' ' ILE . 7.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 49' ' ' ARG . 26.6 m-85 -149.72 149.56 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.2 mmp_? -132.98 124.32 27.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.719 HG22 ' CE1' ' A' ' 108' ' ' PHE . 38.3 t -64.09 126.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.46 149.95 52.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 12.9 tt0 -109.93 130.13 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.529 HD12 HD12 ' A' ' 25' ' ' LEU . 4.4 mt -64.68 130.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 90' ' ' ARG . 6.9 p -113.33 -15.02 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.96 -169.23 41.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 40' ' ' ALA . 73.0 t -133.97 121.09 37.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.63 174.69 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.87 149.59 41.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -124.47 179.23 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.23 -29.91 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB3' ' A' ' 84' ' ' ASN . 17.6 t -116.16 148.22 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE2' ' CD ' ' A' ' 99' ' ' ARG . 37.5 p90 -137.29 162.16 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -77.07 148.05 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 21.0 tp -147.05 78.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.37 23.03 78.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.58 -41.27 2.11 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.4 t -84.13 144.39 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.4 mtt180 -104.95 112.8 26.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -114.37 154.51 27.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.849 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.7 p-10 -129.25 36.47 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 25.5 mtmm -111.08 124.99 53.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.527 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -90.18 117.67 5.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . 5.6 mt -75.13 111.95 10.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 2.1 tt0 -75.84 111.09 10.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.6 mt -115.53 124.29 50.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 67' ' ' THR . 23.0 ttp180 -115.3 126.98 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.526 ' NE2' ' HB3' ' A' ' 119' ' ' ALA . 19.9 t-160 -120.83 124.43 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 51.38 -133.58 34.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -90.68 19.83 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -127.34 124.78 39.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 149.57 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -159.06 -177.2 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 87' ' ' LEU . 3.5 p -163.93 125.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CG ' HG12 ' A' ' 50' ' ' ILE . 19.4 m-85 -116.62 -164.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.5 mmp_? -106.43 158.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 8.7 mp -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 pt-20 -64.96 -25.56 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 18.8 m-30 -96.7 -5.96 37.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.707 HG11 ' CD1' ' A' ' 30' ' ' LEU . 18.8 t -78.62 111.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 49' ' ' ARG . 5.9 t -55.23 177.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -150.6 40.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -123.28 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.67 139.7 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.719 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.9 m-85 -62.03 120.02 10.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.44 148.98 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 42.3 tt0 -42.12 -62.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.5 m -38.19 -67.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 2.2 mm-40 -37.38 -62.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 12.9 t80 -42.36 -60.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 mmt -59.89 -59.96 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.06 -45.89 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.52 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 8.3 t90 -67.79 -50.71 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -45.13 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.74 -52.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . . . -52.59 -43.64 65.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.68 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.2 mmm -68.23 -41.02 81.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -67.87 -34.76 77.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -75.2 -42.63 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.52 -3.02 31.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.38 32.61 77.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.14 -175.0 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 111.007 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CE ' ' A' ' 120' ' ' MET . 63.1 mt-30 -123.48 148.7 45.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.939 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -90.95 -174.39 0.44 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.618 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.05 128.66 11.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -78.51 139.23 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.9 mm? -38.41 -39.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -56.7 -60.6 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 1.6 mt-10 -50.66 -45.42 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -57.51 -55.66 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -55.84 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.8 -54.39 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 3.5 tppt? -53.55 -56.1 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 18.0 tt0 -40.0 -62.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -44.23 -52.95 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.54 -45.64 13.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 3.2 mp -62.77 -55.59 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.423 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.0 OUTLIER -44.93 -56.86 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -161.25 158.52 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -178.43 168.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.59 115.37 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.66 137.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -175.87 156.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.73 145.13 5.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -74.98 137.36 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.4 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 92.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.438 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 1.2 m -162.28 -173.01 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 1.002 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 -109.45 133.31 20.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.928 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.04 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 21.16 89.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -31.82 63.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 172.43 7.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.94 -8.63 20.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.0 mt-10 -71.71 -57.79 4.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 67.9 mm-40 -46.46 -41.49 14.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD11 ' CD2' ' A' ' 47' ' ' PHE . 14.3 tp -69.15 -31.5 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' GLU . 4.2 m-20 -70.99 -26.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 46.2 mtp180 -63.51 -39.8 95.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG21 HD13 ' A' ' 133' ' ' ILE . 30.3 m -104.75 30.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 15.0 ttp85 -93.05 91.15 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.97 HD13 HD21 ' A' ' 30' ' ' LEU . 6.9 mt -41.29 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' HB3' ' NH2' ' A' ' 24' ' ' ARG . 80.3 p -135.92 138.4 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG2' HD11 ' A' ' 78' ' ' LEU . 13.8 ttp180 -38.8 -41.86 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.1 -68.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 10.5 mtmt -46.13 -38.45 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.97 HD21 HD13 ' A' ' 25' ' ' LEU . 80.1 mt -67.04 -46.9 73.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -28.33 67.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -88.12 -50.15 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.898 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.3 m0 -67.3 -16.94 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.13 -16.05 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.4 p80 -111.1 6.91 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 34.4 mmm -102.22 159.42 29.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -81.95 47.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 43' ' ' VAL . 71.3 t80 -81.48 -72.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.54 -44.73 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -50.48 65.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.5 m -69.58 -72.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.78 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m -35.32 -34.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 5.6 m -68.61 106.89 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.14 -11.92 12.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 56.5 m -88.31 -166.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 20' ' ' LEU . 31.4 m-85 -143.99 140.23 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' A' ' 103' ' ' VAL . 20.7 m -129.45 159.79 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.621 ' NH2' ' CD2' ' A' ' 61' ' ' TYR . 1.4 ttt-85 -102.08 115.3 30.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.238 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.0 tp -100.68 144.06 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -105.37 77.46 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.98 -42.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' N ' HG12 ' A' ' 52' ' ' ILE . . . -160.39 -164.54 15.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -160.36 -56.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.89 -173.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . 4.8 m120 -112.19 90.41 3.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.1 m 162.56 -70.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.43 139.01 34.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' C ' ' CG2' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 171.98 17.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.845 HG12 HD11 ' A' ' 52' ' ' ILE . 1.5 t -148.4 134.99 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.621 ' CD2' ' NH2' ' A' ' 49' ' ' ARG . 57.6 m-85 -153.52 156.2 37.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' HD12 ' A' ' 52' ' ' ILE . 12.0 mmm180 -146.02 144.38 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 108' ' ' PHE . 73.4 t -87.08 135.36 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -136.72 149.47 47.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.91 123.24 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.464 HG21 HG23 ' A' ' 43' ' ' VAL . 51.2 mt -64.51 122.42 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 90' ' ' ARG . 18.3 p -101.93 -15.06 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.64 -169.36 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 40' ' ' ALA . 79.1 t -132.69 124.7 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 86' ' ' GLY . 20.9 m -98.7 -177.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.8 pt-20 -133.43 121.88 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -95.43 179.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.64 -31.08 10.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -94.89 144.85 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.978 HG22 ' HB3' ' A' ' 84' ' ' ASN . 39.1 t -107.21 150.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 33.1 p90 -136.44 159.03 43.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -75.76 152.08 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.4 tp -151.33 73.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.2 29.34 60.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.45 -39.47 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -84.37 146.42 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.504 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -109.18 112.67 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.503 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 13.2 t -113.7 167.01 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.978 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.7 p-10 -141.26 44.48 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -118.72 112.25 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.657 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -82.32 118.76 4.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -71.06 114.51 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -77.83 97.75 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 17.5 mt -100.12 159.8 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 67' ' ' THR . 1.4 ttm180 -135.77 116.81 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASP . 69.8 t60 -96.99 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 71.13 -112.32 4.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -105.44 14.11 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -122.79 135.33 54.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.99 165.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 97' ' ' VAL . 2.7 mtt-85 -158.96 -178.34 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.7 t -153.81 103.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 50' ' ' ILE . 83.6 m-85 -108.08 -172.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 16.0 mmt-85 -116.13 161.33 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.7 mp -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 pt-20 -50.4 -38.97 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.3 m-30 -78.09 -30.57 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 30' ' ' LEU . 9.9 t -59.71 96.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.25 64.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -130.71 161.72 31.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.16 127.87 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -50.87 105.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.6 p -54.51 147.08 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -52.8 -25.45 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . 16.8 m -78.01 -65.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -38.93 -56.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.3 t80 -46.45 -52.89 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.16 -41.18 81.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -60.2 -46.19 90.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.493 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -66.77 -44.08 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 107.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -42.28 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -45.89 -51.35 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB1' ' HA3' ' A' ' 92' ' ' GLY . . . -54.56 -39.35 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.69 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.9 mmm -73.4 -39.87 64.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.14 -28.84 63.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.6 t -76.51 -44.46 35.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.536 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -78.0 -11.93 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.01 11.52 85.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.536 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 11.7 mtp -72.55 167.08 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.436 ' O ' ' CE ' ' A' ' 120' ' ' MET . 7.7 mt-30 -108.22 151.55 25.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.928 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.95 -174.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.0 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.1 p -80.17 139.34 36.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -42.35 -30.27 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.64 -50.33 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -63.19 -43.94 96.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.657 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.5 mm -51.21 -53.83 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.71 -62.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -44.24 -54.38 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.0 tppt? -56.46 -59.63 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.539 ' HA ' HD13 ' A' ' 140' ' ' ILE . 6.8 tp10 -44.2 -54.8 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.9 OUTLIER -45.37 -27.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -75.54 -39.96 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.1 mp -60.21 -45.72 95.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.19 -63.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.75 -49.06 40.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.34 -59.61 2.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.53 108.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -131.96 122.63 3.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 17.8 t -158.88 160.4 36.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.5 m -88.27 -58.44 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -173.07 138.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 159.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.047 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.11 -178.23 30.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m 62.98 149.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -173.16 167.44 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.56 159.66 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.1 Cg_endo -75.01 154.07 42.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.2 Cg_endo -75.0 -22.67 14.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 44.08 68.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 129' ' ' THR . 15.1 t -158.16 -179.42 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.682 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 -106.26 133.19 20.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.665 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.4 m 18.42 91.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.402 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -56.4 -33.03 65.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -133.01 171.72 8.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.574 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.96 -20.51 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.05 -51.81 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.663 ' CD ' HD12 ' A' ' 130' ' ' LEU . 26.9 mm-40 -50.27 -41.0 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD11 ' CG ' ' A' ' 47' ' ' PHE . 7.0 tp -68.41 -25.12 64.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.9 -19.64 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -74.5 -33.71 62.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 133' ' ' ILE . 5.0 m -106.13 9.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 106' ' ' GLN . 40.8 ttp85 -73.92 92.01 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD13 HD21 ' A' ' 30' ' ' LEU . 4.7 mt -44.47 152.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -120.2 130.82 54.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.973 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -37.56 -50.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.2 m-70 -51.4 -57.96 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 mtmt -52.05 -43.83 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.009 HD21 HD13 ' A' ' 25' ' ' LEU . 60.1 mt -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -26.14 65.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -88.85 -50.63 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.959 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.5 m0 -68.05 -15.82 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.39 -17.45 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.301 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 10.5 t-80 -109.59 4.75 22.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 18.3 mmm -97.71 160.04 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -83.79 45.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' VAL . 50.9 t80 -77.55 -69.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.52 -21.23 65.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -34.87 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' VAL . 87.1 m -89.68 -68.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 25' ' ' LEU . 15.5 m -35.94 -36.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.2 m -66.67 108.12 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.41 -19.89 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 140' ' ' ILE . 58.6 m -89.79 164.98 14.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.593 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 26.7 m-85 -110.88 144.79 39.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 66' ' ' ILE . 20.9 m -132.32 145.07 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -90.92 121.82 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.5 tp -100.58 141.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.84 81.08 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.896 HD11 HG12 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -43.97 -34.28 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 171.79 168.49 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -155.28 96.83 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 173.27 71.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -178.75 67.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.82 -66.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 165.31 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.896 HG12 HD11 ' A' ' 52' ' ' ILE . 1.4 t -141.75 112.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -131.35 158.9 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.742 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -141.37 129.03 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 46.6 t -78.79 144.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -154.56 162.5 41.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.7 tt0 -121.01 130.59 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 48' ' ' VAL . 34.2 mt -66.9 113.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.5 p -99.21 4.02 46.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.16 -173.93 33.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 68.9 t -131.51 123.15 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 86' ' ' GLY . 23.1 m -98.46 -179.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -131.74 117.57 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.3 p -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.61 -32.01 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -97.54 146.54 25.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.853 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.7 t -108.58 146.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 20.0 p90 -137.0 158.3 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -69.98 152.19 44.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 81' ' ' THR . 14.4 tp -153.46 86.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.7 20.76 70.5 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.07 -39.14 2.75 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.15 146.45 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HD3' HG12 ' A' ' 75' ' ' VAL . 4.6 mtt85 -103.25 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.8 t -113.02 168.22 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.853 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.5 p-10 -140.53 16.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -93.87 128.89 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.775 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.65 117.6 5.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.6 mt -65.45 118.03 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -77.48 96.18 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.549 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.1 mt -104.94 130.38 53.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.515 ' HB3' HG21 ' A' ' 67' ' ' THR . 10.2 ptt180 -110.31 162.73 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 119' ' ' ALA . 78.4 t60 -143.06 124.19 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.438 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 56.58 -96.0 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.17 18.81 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.61 153.2 37.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.72 129.23 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' LEU . 3.6 ttt180 -119.67 -177.43 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -149.26 130.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.544 ' CD2' HG12 ' A' ' 50' ' ' ILE . 90.2 m-85 -131.82 -171.98 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 96.9 mtt180 -120.46 160.01 23.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -67.58 -28.54 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -64.63 -29.96 70.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.6 m-30 -86.93 -25.56 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 87' ' ' LEU . 53.8 t -63.78 141.58 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -110.47 176.1 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -134.21 64.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.6 mp0 -116.63 177.92 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.54 113.36 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -40.89 134.74 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -105.48 147.64 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -40.75 -56.13 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.2 m -41.85 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -43.53 -62.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.5 t80 -39.51 -51.13 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.9 mmt -71.26 -35.27 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -64.96 -47.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 127' ' ' LEU . 2.5 t90 -65.67 -45.85 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.18 -48.42 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -39.81 -52.47 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.514 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . . . -53.41 -44.55 68.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.789 ' HE2' HD23 ' A' ' 127' ' ' LEU . 29.9 mmm -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.88 -36.75 80.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -39.86 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.04 -2.31 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.66 29.9 64.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.0 -172.61 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 120' ' ' MET . 81.0 mt-30 -126.43 152.51 46.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.8 -173.74 0.37 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.08 121.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 0.9 OUTLIER -68.83 138.61 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.682 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.5 mm? -38.34 -36.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -63.45 -60.14 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -40.35 51.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' CG1' ' A' ' 14' ' ' VAL . 3.1 mm -55.81 -60.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.18 -57.7 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -47.31 -52.05 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.2 tppt? -62.16 -55.68 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -38.49 -61.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 138' ' ' LEU . 3.4 mm? -44.16 -49.33 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -45.22 41.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.815 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.74 -57.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -60.81 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.03 -63.1 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 140' ' ' ILE . . . 45.45 61.79 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.44 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.25 156.71 26.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 65.59 6.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.98 145.53 31.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 131.62 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -175.23 120.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -144.84 164.82 29.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.48 171.95 43.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -174.07 173.35 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -168.67 167.03 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 150.95 22.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.1 Cg_endo -75.05 129.41 12.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.2 Cg_endo -75.01 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.39 83.6 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.16 -163.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.952 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.2 tt0 -115.43 133.19 22.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.936 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.01 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 24.62 88.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -56.18 -31.72 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.56 172.87 6.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -75.01 -11.79 21.47 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -67.81 -51.44 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 69.6 mm-40 -51.51 -36.65 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.4 tp -73.32 -18.25 61.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -88.13 -18.28 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -71.69 -34.16 69.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 133' ' ' ILE . 3.7 m -101.94 10.44 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 57.2 ttp85 -75.95 120.33 21.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 43' ' ' VAL . 28.3 mt -75.8 -178.54 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -147.68 132.65 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 78' ' ' LEU . 4.0 ttp-105 -34.32 -44.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.0 -63.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -46.07 -44.38 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 39.4 mt -64.27 -45.44 88.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.524 ' OE1' HG21 ' A' ' 81' ' ' THR . 0.5 OUTLIER -59.95 -20.91 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -96.49 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.688 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.7 m0 -67.34 -16.13 64.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 t -68.21 -17.57 64.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 8.2 p80 -114.75 20.26 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.558 ' SD ' ' CE1' ' A' ' 35' ' ' HIS . 22.6 mmm -135.17 164.13 46.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 40.2 p90 43.93 21.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 43' ' ' VAL . 72.3 t80 -67.18 -69.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -61.9 -23.0 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -77.06 -36.77 55.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' THR . 49.4 m -83.1 -70.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.861 ' HA ' HD11 ' A' ' 25' ' ' LEU . 12.8 m -36.75 -33.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.8 m -67.31 113.47 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.97 -2.31 22.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 140' ' ' ILE . 74.2 m -97.0 -171.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 33.0 m-85 -139.51 130.45 26.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 29.1 m -126.82 153.46 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mtp180 -89.98 118.01 29.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.73 149.8 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.25 113.0 4.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.719 HG21 ' HG3' ' A' ' 62' ' ' ARG . 2.4 pt -90.75 -28.57 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 52' ' ' ILE . . . -137.5 136.23 8.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -143.71 84.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -125.1 179.86 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.4 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.01 179.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.03 146.42 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -175.94 2.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' N ' ' A' ' 53' ' ' GLY . 2.4 t -141.52 112.31 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -125.25 146.31 49.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.719 ' HG3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.98 127.8 29.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 48.7 t -57.58 138.09 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.08 135.96 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.83 134.96 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.1 mt -72.7 123.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.9 p -110.53 -5.43 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.96 -174.51 37.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 78.6 t -133.8 119.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 86' ' ' GLY . 28.5 m -98.16 176.45 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -121.59 152.61 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -127.78 176.76 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.54 -30.25 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -91.73 146.77 23.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.909 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.1 t -114.49 147.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 27.7 p90 -136.34 156.17 49.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.75 154.17 42.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -154.43 91.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.38 13.59 50.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.87 -41.28 1.68 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.524 HG21 ' OE1' ' A' ' 31' ' ' GLU . 13.8 t -84.34 145.11 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.536 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -104.37 113.2 26.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -113.82 167.18 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.909 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.6 p-10 -140.94 45.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -116.3 118.52 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.21 115.22 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 103' ' ' VAL . 4.9 mt -69.83 113.03 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -78.38 98.59 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.803 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.5 mt -104.84 148.35 26.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.4 OUTLIER -129.71 119.57 23.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -109.73 99.38 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.89 -130.69 10.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -94.69 18.4 11.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.4 147.47 49.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -108.61 153.98 22.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.9 mtt180 -143.96 175.52 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.3 t -148.79 107.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 92.4 m-85 -115.25 -168.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 40.5 mtt180 -119.8 163.88 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.99 -34.79 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.8 pt-20 -59.02 -39.04 80.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -80.04 -6.61 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 87' ' ' LEU . 7.7 t -89.02 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -103.08 114.69 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -39.18 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 52.69 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.29 119.17 20.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 9.3 m-85 -44.53 136.12 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 112' ' ' GLU . 10.5 t -107.44 137.29 45.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -38.2 -47.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -47.19 -67.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 109' ' ' THR . 48.9 mt-10 -56.06 -55.28 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.9 t80 -39.59 -40.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.75 -36.97 42.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' GLU . 10.3 mmtp -61.59 -46.82 88.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.433 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.7 t90 -65.46 -44.71 86.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.8 OUTLIER -47.92 -44.68 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.18 -50.46 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.2 -38.13 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 127' ' ' LEU . 22.9 mmm -74.47 -38.41 62.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.19 -28.49 64.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.5 t -81.83 -45.86 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -72.82 -12.4 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.0 81.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 15.8 mtp -77.38 170.06 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 48.5 mt-30 -112.1 152.2 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -93.29 -177.45 0.7 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.1 Cg_endo -75.04 130.03 12.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.37 139.7 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.374 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.76 -32.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -52.08 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.8 mm-40 -61.07 -43.17 99.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.545 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -57.54 -45.32 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.06 -63.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -48.94 -39.88 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.5 tppt? -69.41 -52.5 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.9 tt0 -46.64 -61.43 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.0 mm? -44.37 -46.79 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -44.11 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.688 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.72 -53.27 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.3 mppp? -48.17 -63.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -40.84 -52.45 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -41.07 -65.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.5 p -54.4 167.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.15 -94.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.52 29.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.6 p -134.4 116.27 14.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 29.6 t -147.78 -57.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -174.58 170.43 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -178.5 163.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.67 -111.99 0.54 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t 62.1 126.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.069 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.66 154.76 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 131.76 1.32 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -74.97 132.82 15.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.2 Cg_endo -75.02 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -172.53 94.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.86 -164.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.924 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.1 tt0 -113.7 132.46 22.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.938 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.93 104.35 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.0 OUTLIER 22.69 89.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -30.92 61.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 172.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.95 -23.9 13.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -53.72 -56.14 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 50.4 mm-40 -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 47' ' ' PHE . 7.5 tp -65.02 -27.84 69.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -76.58 -26.59 55.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -67.09 -25.38 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 133' ' ' ILE . 16.6 m -118.84 14.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 41.7 ttp85 -83.9 90.86 7.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.112 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 5.8 mt -48.54 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 35.9 p -129.0 136.12 49.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 8.0 ttp-105 -36.4 -41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -53.67 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -50.89 -45.92 60.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 25' ' ' LEU . 55.0 mt -57.52 -50.26 73.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -21.37 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.54 -48.94 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.112 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 11.6 m0 -67.72 -15.99 63.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 107.978 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t -66.91 -14.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 108.254 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -112.05 9.81 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 40.5 mmm -108.36 160.39 27.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.06 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -79.12 49.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.782 ' O ' HG22 ' A' ' 43' ' ' VAL . 76.1 t80 -86.54 -69.1 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -53.9 -45.93 71.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -49.32 74.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.8 m -69.06 -72.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 39' ' ' PHE . 25.0 m -35.36 -37.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.1 m -62.2 105.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.97 -26.81 7.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 140' ' ' ILE . 66.5 m -75.37 166.42 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 16.0 m-85 -118.15 150.26 39.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.518 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.3 m -142.48 154.99 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -96.98 124.34 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -100.53 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -111.06 74.26 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.917 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.28 -42.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 171.35 -162.21 34.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -144.72 87.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.33 139.83 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.94 174.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.99 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -54.76 140.81 58.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.29 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.554 1.818 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.917 HG12 HD11 ' A' ' 52' ' ' ILE . 3.7 t -144.76 132.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.406 ' N ' HD11 ' A' ' 52' ' ' ILE . 35.9 m-85 -150.92 165.12 34.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.608 ' O ' HG22 ' A' ' 50' ' ' ILE . 40.3 mtp85 -151.42 140.25 20.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.78 HG13 ' CE1' ' A' ' 108' ' ' PHE . 46.6 t -87.09 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.04 157.14 44.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.84 133.14 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 43' ' ' VAL . 35.4 mt -69.57 127.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.613 HG21 ' HB2' ' A' ' 90' ' ' ARG . 10.5 p -115.18 6.89 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.27 179.37 26.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 77.5 t -125.59 121.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 86' ' ' GLY . 22.8 m -98.65 -178.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.5 pt-20 -132.7 121.65 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p -94.73 175.8 6.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.41 -32.82 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -94.16 151.27 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 84' ' ' ASN . 30.5 t -116.62 150.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.1 p90 -134.61 163.46 29.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.03 144.56 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' THR . 57.4 tp -136.58 67.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.19 71.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.01 -49.23 0.89 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.9 t -83.38 142.34 31.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -104.15 113.64 27.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' CE1' ' A' ' 76' ' ' TYR . 15.3 t -111.81 168.75 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.847 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.8 p-10 -139.31 16.27 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HE3' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mtpp -89.19 114.74 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.61 113.71 3.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -67.49 114.73 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.23 95.74 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.4 mt -99.94 142.87 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.613 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.6 ttm-85 -117.32 130.98 56.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -117.64 102.32 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 65.33 -129.9 34.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.73 15.93 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 143.24 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.86 158.87 15.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' VAL . 9.5 mtt180 -147.27 179.28 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ARG . 44.1 t -154.13 107.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 50' ' ' ILE . 88.4 m-85 -112.13 -171.06 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 83.4 mtt180 -119.89 159.19 25.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.4 -36.73 76.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 11.6 pt-20 -57.39 -32.13 66.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 16.1 m-30 -90.32 -13.71 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.645 HG21 HD12 ' A' ' 87' ' ' LEU . 4.3 t -74.4 99.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -53.01 160.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -123.89 36.74 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.496 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 mp0 -111.88 166.22 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.6 140.72 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.78 ' CE1' HG13 ' A' ' 63' ' ' VAL . 10.6 m-85 -58.05 122.87 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 p -77.78 175.73 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.46 -23.98 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 20.0 m -79.0 -70.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 10.4 mm-40 -37.78 -62.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 28.4 t80 -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.5 mmt -76.19 -41.91 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -59.5 -44.18 93.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.9 t90 -66.69 -47.91 70.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.45 -47.93 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.88 -51.03 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.88 -45.66 71.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.691 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.8 mmm -66.3 -41.04 90.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -68.87 -35.84 77.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -72.54 -38.24 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.57 9.38 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 47.88 39.12 17.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.67 -171.53 2.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.42 ' O ' ' CE ' ' A' ' 120' ' ' MET . 37.5 mt-30 -127.77 142.96 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -88.76 -179.33 1.25 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 130.67 13.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -79.89 140.2 36.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.59 -31.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 6.9 t0 -66.88 -56.42 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -56.07 -29.19 60.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.625 HD13 HG21 ' A' ' 23' ' ' VAL . 2.4 mm -69.52 -53.44 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.08 -53.89 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -52.61 -41.85 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.7 tppt? -70.94 -51.85 23.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.34 -59.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -46.06 -48.64 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -43.41 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.862 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.4 mp -63.87 -53.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -51.14 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.25 -53.87 38.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.55 -52.16 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.89 167.53 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 82.76 85.35 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 t -127.75 149.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.2 t -111.51 -56.57 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.61 125.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -168.05 172.02 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.12 -174.08 29.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.41 156.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -170.08 166.4 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.56 130.2 2.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.41 41.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.58 72.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -160.93 158.78 28.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.967 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -118.47 144.08 34.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.917 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 151.48 39.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -37.14 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.6 -2.87 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.35 161.36 41.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.07 20.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.2 mt-10 -68.87 -69.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.678 ' H ' HD13 ' A' ' 16' ' ' LEU . 51.5 mm-40 -42.03 -50.06 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 20' ' ' LEU . 16.6 tp -61.8 -38.92 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -61.43 -26.5 67.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 49.5 mtp180 -63.43 -48.16 78.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 133' ' ' ILE . 32.9 m -89.41 24.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -82.82 92.34 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.906 HD11 ' HA ' ' A' ' 43' ' ' VAL . 12.6 mt -51.42 163.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 p -136.73 134.73 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -39.33 -48.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -45.7 -62.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -50.57 -56.99 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 25' ' ' LEU . 68.7 mt -48.77 -45.58 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -23.12 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 1.4 mtt180 -97.44 -49.36 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.555 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.9 m0 -66.93 -18.29 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.31 -16.41 60.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 0.6 OUTLIER -111.19 5.31 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.604 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.462 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 39.4 mmm -100.09 160.74 26.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -79.67 48.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.499 ' O ' HG22 ' A' ' 43' ' ' VAL . 71.7 t80 -82.83 -74.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.86 -46.01 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.56 -52.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 94.3 m -65.42 -72.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.906 ' HA ' HD11 ' A' ' 25' ' ' LEU . 11.4 m -35.96 -35.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.4 m -66.1 111.92 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.23 9.95 16.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.428 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 9.3 m -119.11 -179.39 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.1 m-85 -130.55 138.3 50.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 25' ' ' LEU . 34.4 m -121.24 152.35 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' NH1' ' OE2' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -90.25 104.89 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.58 HG12 ' CD2' ' A' ' 98' ' ' PHE . 3.1 tp -100.66 149.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.64 104.1 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -44.55 -88.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.84 108.66 0.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -116.27 102.89 9.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -106.13 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.23 169.8 8.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.83 176.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 155.2 0.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.52 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.045 HG22 HD11 ' A' ' 52' ' ' ILE . 8.0 p -143.52 144.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -152.06 144.84 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.7 mmp_? -130.08 126.74 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 128.74 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -128.66 162.37 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.9 tt0 -120.77 131.6 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 25' ' ' LEU . 10.4 mt -73.62 120.34 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -106.67 -5.79 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.11 -169.28 37.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 ' HD2' ' A' ' 85' ' ' LYS . 60.4 t -135.45 132.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.0 m -107.44 -176.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 128.03 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.6 p -100.24 -177.13 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.11 -30.09 8.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 149.97 22.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.4 t -114.69 143.82 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 11.0 p90 -134.17 168.02 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -82.34 144.76 30.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' THR . 39.8 tp -133.64 62.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.25 86.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.83 -61.45 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.9 t -82.9 148.57 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -112.92 114.27 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 76' ' ' TYR . 14.9 t -113.91 146.09 40.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.761 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.3 p-10 -111.36 35.32 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.541 ' HD2' HG11 ' A' ' 69' ' ' VAL . 8.7 mtmm -102.82 157.14 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.76 125.49 5.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.838 HD12 HG21 ' A' ' 103' ' ' VAL . 9.3 mt -78.99 112.76 16.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.41 96.44 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.3 mt -101.24 158.47 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 67' ' ' THR . 6.8 ttm-85 -135.68 125.88 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -115.48 102.52 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.425 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 69.45 -119.33 9.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.23 19.56 19.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.05 135.05 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -94.42 160.79 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mtt-85 -148.12 178.81 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 96' ' ' ARG . 38.9 t -152.86 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 50' ' ' ILE . 89.4 m-85 -108.1 -170.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.555 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 84.5 mtt85 -120.09 165.39 14.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.9 mp -66.19 -37.54 85.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -52.25 -40.99 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.7 m-85 -80.52 -27.37 37.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.838 HG21 HD12 ' A' ' 87' ' ' LEU . 7.0 t -59.39 99.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -73.37 163.13 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -125.8 84.11 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.13 166.77 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.1 139.42 38.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -65.61 124.96 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 p -74.38 150.29 40.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.61 -26.64 56.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' NZ ' ' A' ' 115' ' ' LYS . 6.4 t -79.37 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 113' ' ' PHE . 5.6 pt-20 -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CZ ' ' C ' ' A' ' 16' ' ' LEU . 26.9 t80 -55.53 -35.08 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.16 -43.64 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 12.9 mptt -54.3 -39.61 67.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -68.87 -47.04 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.42 -43.52 34.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.29 -48.35 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.82 83.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.522 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.1 mmm -65.33 -40.07 93.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -68.98 -39.21 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -69.27 -38.86 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.71 -0.57 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.18 32.1 66.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -90.57 -173.67 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.443 ' O ' ' HE1' ' A' ' 120' ' ' MET . 14.8 mt-30 -125.25 147.0 49.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.917 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -94.22 -175.19 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.2 p -81.57 138.75 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.967 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.1 mm? -40.4 -42.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -49.65 67.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.7 OUTLIER -65.21 -45.84 83.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 14' ' ' VAL . 2.0 mm -50.26 -59.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.78 -64.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -42.66 -57.33 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.8 tppt? -51.93 -61.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 5.7 tp10 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.6 OUTLIER -44.91 -31.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -70.23 -40.8 74.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.555 HG23 ' CH2' ' A' ' 33' ' ' TRP . 1.8 mp -59.16 -46.71 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -60.08 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 143' ' ' ALA . 70.9 mt-10 -57.55 -48.04 80.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 142' ' ' GLU . . . -40.43 -65.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.5 t -60.7 -154.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.07 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -149.43 90.71 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.42 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.3 t -162.17 111.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.2 t -81.83 153.72 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.82 161.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.65 166.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.83 108.45 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -167.54 161.76 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -178.36 171.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.08 165.15 32.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 136.28 20.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.819 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 88.74 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -133.43 111.46 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.4 -170.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.822 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.1 tt0 -108.24 129.95 23.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.888 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 15.3 m 21.99 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -20.17 66.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 ' CD ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -142.47 171.54 7.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.0 -10.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 16' ' ' LEU . 2.9 mt-10 -67.02 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.767 ' CD ' HD12 ' A' ' 16' ' ' LEU . 1.3 mt-10 -41.0 -49.21 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 47' ' ' PHE . 9.5 tp -62.35 -41.21 98.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 m-20 -58.32 -22.42 53.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -71.3 -33.58 69.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 5.6 m -110.17 14.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' NH2' ' CG ' ' A' ' 107' ' ' GLU . 6.5 tmm_? -77.27 95.34 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 43' ' ' VAL . 10.9 mt -56.01 156.15 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.1 p -123.55 138.02 54.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.6 ttp180 -37.4 -56.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -46.07 -67.13 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 20.5 mttp -41.67 -48.12 4.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 34' ' ' CYS . 21.0 mt -59.7 -65.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.7 OUTLIER -36.08 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 mtt85 -81.03 -51.63 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.632 ' HH2' HG23 ' A' ' 140' ' ' ILE . 9.8 m0 -67.76 -17.37 64.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.88 -11.7 40.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -113.93 7.83 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.5 mmm -104.46 160.43 26.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -81.51 46.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.762 ' CE1' HG11 ' A' ' 43' ' ' VAL . 11.0 t80 -82.29 -71.92 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.44 -53.88 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -57.26 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' VAL . 99.4 m -57.84 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.762 HG11 ' CE1' ' A' ' 39' ' ' PHE . 12.9 m -39.12 -45.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.538 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.9 m -52.12 105.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.09 -15.45 8.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.79 ' SG ' HD11 ' A' ' 140' ' ' ILE . 88.8 m -90.03 174.45 7.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 20' ' ' LEU . 37.1 m-85 -120.16 144.09 47.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.406 HG11 HD11 ' A' ' 66' ' ' ILE . 33.5 m -135.66 145.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 5.2 ttp85 -89.04 112.65 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.85 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -99.87 149.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.75 106.37 1.21 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.054 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -52.9 -99.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.53 -129.54 3.66 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -173.21 157.31 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.786 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.57 75.7 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.7 t -179.77 -71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.0 163.14 42.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.49 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 52' ' ' ILE . 11.4 p -155.71 140.91 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' NH1' ' A' ' 49' ' ' ARG . 29.2 m-85 -152.83 144.81 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.85 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.5 mmp_? -129.01 127.18 41.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 108' ' ' PHE . 54.9 t -78.59 131.47 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -134.84 166.34 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.53 128.77 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.547 HD13 ' HB ' ' A' ' 43' ' ' VAL . 40.1 mt -64.76 112.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.6 p -97.9 2.59 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 -176.49 32.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.687 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 70.5 t -130.26 120.08 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.73 169.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.96 142.7 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.0 p -114.33 173.79 6.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.02 -32.74 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -96.86 141.96 29.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.932 HG22 ' HB3' ' A' ' 84' ' ' ASN . 40.8 t -106.94 148.95 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 34.2 p90 -136.17 156.0 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.56 150.69 46.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.574 ' CD2' HD22 ' A' ' 100' ' ' LEU . 9.2 tp -154.39 91.96 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.55 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.48 -39.97 2.59 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 78' ' ' LEU . 5.1 t -83.94 146.74 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -106.36 112.27 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 t -113.31 166.35 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.932 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.4 p-10 -140.46 40.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -114.01 117.55 31.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.514 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.82 120.06 5.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 103' ' ' VAL . 6.4 mt -71.25 114.48 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.373 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.5 97.15 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.54 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 mt -103.54 158.85 16.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.437 ' HB2' HG21 ' A' ' 67' ' ' THR . 13.0 ttm180 -140.22 125.14 18.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -110.22 130.37 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.41 -108.92 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -119.49 22.44 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.46 150.39 47.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 153.02 20.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 6.6 mtt-85 -144.96 176.93 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -151.44 108.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CD2' HG12 ' A' ' 50' ' ' ILE . 82.8 m-85 -113.41 -171.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.488 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 34.5 mtt-85 -116.9 174.58 6.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 34' ' ' CYS . 7.1 mp -71.27 -33.01 69.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 13.3 pt-20 -60.23 -39.91 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -76.98 -19.96 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 87' ' ' LEU . 7.6 t -72.34 103.51 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.4 173.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -119.25 -40.05 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -44.11 166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 8.9 mt-10 -81.62 167.42 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 63' ' ' VAL . 4.8 m-85 -75.07 133.24 41.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 112' ' ' GLU . 5.7 t -101.38 146.72 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' SER . 39.6 tt0 -47.48 -55.15 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' GLU . 51.0 m -39.54 -72.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 0.4 OUTLIER -49.38 -59.5 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 34.4 t80 -38.54 -37.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mmt -81.6 -44.5 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.8 mptt -54.99 -42.39 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -67.5 -49.9 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -43.76 -48.73 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -42.04 -51.14 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.31 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.87 ' HE2' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.81 -39.81 83.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -69.44 -37.9 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -72.56 -38.76 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.94 -1.14 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.88 37.57 85.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.58 -174.79 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.516 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.1 mt-30 -124.33 148.44 47.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.888 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.7 -176.41 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.7 p -85.86 139.14 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -43.87 -28.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.4 -48.52 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.5 mt-10 -68.6 -48.86 63.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -46.12 -55.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.14 -56.44 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.236 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -51.39 24.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.6 tppt? -61.66 -56.18 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 136' ' ' LYS . 32.2 tt0 -37.66 -61.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.9 mm? -43.9 -50.33 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -41.0 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.79 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.1 mp -69.08 -44.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.6 OUTLIER -55.46 -62.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -42.77 -49.61 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -44.18 -60.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 61.5 p -74.82 162.17 28.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.12 166.1 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.2 m -97.75 163.9 12.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.88 161.34 42.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t 66.57 -72.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER 71.97 79.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.4 -166.88 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -159.79 169.53 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -171.86 155.49 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.92 176.63 18.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.38 10.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.92 9.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.0 146.65 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HB3' ' HB ' ' A' ' 129' ' ' THR . 0.6 OUTLIER -170.28 -168.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.969 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 130' ' ' LEU . 4.1 tt0 -114.34 129.49 24.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.97 156.39 43.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -39.85 97.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -67.61 -26.88 66.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.071 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -135.17 170.11 12.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.94 -7.38 19.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.2 mt-10 -65.02 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.5 mt-10 -44.7 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.655 HD11 ' CG ' ' A' ' 47' ' ' PHE . 8.3 tp -63.06 -36.4 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.8 m-20 -63.46 -26.85 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 19.6 mtp85 -66.76 -51.91 50.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 133' ' ' ILE . 25.4 m -89.37 16.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 31.6 ttp85 -80.37 88.18 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 30' ' ' LEU . 7.9 mt -46.65 165.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ARG . 60.5 p -135.75 137.51 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' SER . 12.8 ttp180 -36.32 -58.04 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -46.56 -64.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -42.7 -49.47 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 25' ' ' LEU . 37.2 mt -58.94 -54.41 47.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.53 -28.84 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -85.61 -50.56 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 13.8 m0 -67.24 -14.67 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.57 -17.41 64.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.293 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.8 p80 -108.15 12.45 26.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.498 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 50.9 mmm -111.17 159.22 33.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -77.21 50.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 43' ' ' VAL . 74.2 t80 -85.1 -74.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -47.52 -46.3 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -54.69 25.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 43' ' ' VAL . 25.2 m -65.13 -73.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.741 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.9 m -34.72 -37.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -64.24 106.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.23 -15.27 8.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 m -88.92 172.64 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 20' ' ' LEU . 24.0 m-85 -123.36 146.74 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 28.8 m -138.97 151.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 105' ' ' ASN . 1.0 OUTLIER -93.78 112.28 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 98' ' ' PHE . 5.7 tp -100.03 149.98 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.03 104.64 1.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.084 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -49.64 -87.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.78 -119.49 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 178.32 134.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -129.78 -78.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.618 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -162.08 -179.74 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.57 84.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 58.68 158.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.1 39.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.084 HG22 HD11 ' A' ' 52' ' ' ILE . 9.2 p -101.74 145.02 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -153.39 150.5 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.0 mmp_? -132.24 127.42 35.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 112' ' ' GLU . 79.3 t -76.2 125.3 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -130.73 165.57 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 10.3 tt0 -123.59 128.19 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 43' ' ' VAL . 31.2 mt -63.55 112.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.568 HG21 ' HB2' ' A' ' 90' ' ' ARG . 7.6 p -96.78 -0.2 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.75 -167.85 35.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 69.8 t -138.61 123.95 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.4 m -100.39 -176.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.9 pt-20 -135.4 122.96 22.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 p -95.88 172.22 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.51 -35.49 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -95.61 150.5 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 84' ' ' ASN . 42.2 t -111.72 146.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.655 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 18.1 p90 -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.5 145.31 50.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 27' ' ' ARG . 19.7 tp -146.81 82.25 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.04 15.29 79.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.73 -34.26 4.44 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -84.47 148.26 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.698 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.1 112.4 25.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.655 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -113.91 166.47 11.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.962 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.8 p-10 -147.47 44.87 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -117.09 98.65 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -68.58 112.67 4.78 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.801 HD12 HG21 ' A' ' 103' ' ' VAL . 7.6 mt -66.65 110.62 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.87 95.54 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.0 mt -101.05 154.95 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.568 ' HB2' HG21 ' A' ' 67' ' ' THR . 5.7 ttp180 -128.86 123.18 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 62' ' ' ARG . 44.8 t60 -111.74 100.34 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.29 -127.46 12.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.32 21.49 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.72 144.18 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.14 154.76 18.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.482 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 mtt-85 -141.19 169.7 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.2 t -142.67 101.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 50' ' ' ILE . 95.8 m-85 -109.36 -173.19 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 21.0 mtt180 -117.89 165.65 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.78 -34.69 78.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 14.4 pt-20 -58.32 -35.63 72.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.3 m-30 -84.05 -25.78 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.801 HG21 HD12 ' A' ' 87' ' ' LEU . 4.5 t -60.7 94.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.16 159.51 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 8.9 p30 -110.71 -163.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 13.6 tt0 74.51 167.09 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 12.7 pt-20 -73.3 149.04 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 6.9 m-85 -59.64 159.36 8.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -102.25 145.56 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -56.6 -26.74 56.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -75.22 -69.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -42.37 -55.49 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.6 t80 -41.64 -66.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.2 mmt -58.21 -39.45 79.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -59.86 -39.09 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.472 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -70.29 -44.98 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 107.963 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.82 -47.35 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.25 -52.05 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.13 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.909 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.7 mmm -65.72 -39.66 91.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.77 -37.85 73.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -37.97 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.37 10.41 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 46.64 41.71 13.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -98.19 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.566 ' O ' ' HE1' ' A' ' 120' ' ' MET . 72.8 mt-30 -124.64 147.06 48.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.88 -174.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.95 127.47 10.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -71.17 135.11 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.622 HD22 ' CD ' ' A' ' 19' ' ' GLU . 38.8 mt -42.07 -41.28 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -47.75 78.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -63.06 -45.47 92.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.7 mm -48.99 -57.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.06 -64.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -42.28 -59.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.9 tppt? -49.53 -60.13 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.6 tp10 -41.96 -56.89 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.3 mm? -42.53 -33.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -69.84 -44.3 70.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.935 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -56.4 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.16 -52.01 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -41.86 -59.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.77 98.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.71 104.13 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -175.51 163.47 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.3 p -152.24 -57.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.93 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -108.16 135.05 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 p -157.48 161.5 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.22 134.49 5.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -164.67 126.72 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -160.99 164.9 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.11 90.52 0.3 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.558 1.162 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.84 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 67.75 76.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.93 -171.26 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.87 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -104.51 131.81 21.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.952 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.8 m 24.91 89.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -34.56 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -134.96 174.36 4.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -19.49 17.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.7 mt-10 -61.37 -49.23 77.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.675 ' CD ' HD12 ' A' ' 130' ' ' LEU . 35.6 mm-40 -50.14 -42.08 50.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.9 tp -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 2.6 m-20 -78.04 -28.56 49.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 24.2 mtp85 -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 133' ' ' ILE . 18.9 m -100.41 29.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 40.3 ttp85 -89.41 89.86 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 30' ' ' LEU . 9.0 mt -44.02 155.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -122.88 130.51 52.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.053 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -37.86 -44.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -56.74 -62.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -46.37 -49.87 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 25' ' ' LEU . 22.3 mt -56.81 -55.37 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.0 mtt180 -93.19 -50.54 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.567 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.2 m0 -68.69 -9.37 49.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -58.53 -16.43 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.53 -19.89 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.413 ' SD ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 mmt -53.88 154.93 6.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 36' ' ' MET . 18.2 Cg_endo -75.01 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.5 p90 -82.19 12.82 3.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 43' ' ' VAL . 35.7 t80 -35.12 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.16 -45.35 43.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -51.86 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' THR . 5.8 m -66.59 -72.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.854 ' HA ' HD11 ' A' ' 25' ' ' LEU . 10.4 m -36.58 -33.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -68.62 106.57 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.75 6.64 11.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.465 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 19.2 m -112.13 170.19 8.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.9 m-85 -118.95 141.8 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.8 m -134.22 147.32 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 61' ' ' TYR . 1.6 tpt85 -86.92 114.84 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 62' ' ' ARG . 7.4 tp -101.22 146.07 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.15 107.54 2.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -55.37 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.08 -107.46 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 177.09 139.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -129.96 178.47 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.609 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' LYS . 16.9 t30 -76.67 -67.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 85.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.8 mttp 60.38 158.51 0.11 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.44 35.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 52' ' ' ILE . 7.4 p -107.54 143.43 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.419 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 37.8 m-85 -148.46 144.75 27.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.681 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.9 mmt-85 -123.04 141.28 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.522 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 84.6 t -83.91 143.67 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -149.6 154.74 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -115.79 125.34 52.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.472 HD12 HD12 ' A' ' 25' ' ' LEU . 3.6 mt -63.22 115.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -104.95 1.22 28.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.76 -174.84 33.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.77 123.36 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.482 HG21 HG11 ' A' ' 97' ' ' VAL . 26.1 m -99.01 170.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 146.02 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.1 p -121.49 175.0 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.71 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -92.97 146.74 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.868 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.4 t -115.3 149.86 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 23.7 p90 -140.14 160.85 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -74.8 150.44 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 17.2 tp -149.15 79.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.09 22.88 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.152 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.76 -41.63 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.0 t -84.67 142.89 29.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.7 mtt180 -104.18 113.79 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.507 HG22 ' CE1' ' A' ' 76' ' ' TYR . 9.5 t -112.14 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.868 ' HB3' HG22 ' A' ' 75' ' ' VAL . 3.9 p-10 -140.82 17.9 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -97.16 115.74 28.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.27 124.51 6.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 103' ' ' VAL . 6.3 mt -71.02 114.8 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.15 96.27 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.6 mt -103.89 143.29 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -124.68 116.73 22.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -101.51 91.3 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.568 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 74.63 -129.8 11.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.19 11.86 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.09 137.23 54.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.01 155.18 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 16.0 mtt180 -148.87 -179.71 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 96' ' ' ARG . 78.5 t -156.7 105.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.9 m-85 -107.97 173.99 6.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 11.3 mtp180 -99.29 154.46 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 4.8 mp -59.23 -20.11 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.4 pt-20 -74.22 -24.82 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.9 m-30 -89.61 -15.39 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 87' ' ' LEU . 78.0 t -68.08 117.89 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 175.48 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 56.4 t30 -116.78 -38.2 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 105' ' ' ASN . 1.1 mt-30 -38.93 159.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 9.7 pt-20 -91.73 163.01 14.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -74.67 150.78 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.55 HG22 ' CG ' ' A' ' 112' ' ' GLU . 11.8 t -122.01 160.58 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.04 -32.93 64.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -75.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.55 ' CG ' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -47.97 -40.65 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.2 t80 -55.61 -45.1 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.9 mmt -76.79 -34.25 57.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -65.32 -45.92 82.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.1 t90 -67.3 -43.43 81.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.77 -45.0 39.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.45 -50.48 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.89 71.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.4 mmm -64.25 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.56 -38.51 77.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -36.77 73.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -84.07 0.59 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.99 32.11 66.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.74 -173.5 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 120' ' ' MET . 8.2 pt20 -127.23 143.53 51.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -89.09 -177.21 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 132.51 15.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 2.9 p -81.08 139.61 35.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.87 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.1 mm? -38.49 -42.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -59.11 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -47.01 62.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.64 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.6 mm -51.74 -50.71 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.64 -59.34 3.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.8 -52.81 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.2 tppt? -58.53 -60.57 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 tp10 -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.8 mm? -42.01 -39.86 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.9 OUTLIER -61.37 -43.68 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -59.8 -49.97 81.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -50.8 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.75 -55.72 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.26 -61.5 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.18 101.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.53 36.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.4 33.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 79.8 p -130.94 127.72 39.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.3 m -77.96 124.21 27.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -109.53 -63.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 0.802 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.62 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 132.72 1.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.45 169.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.91 170.19 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.65 152.19 22.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.27 39.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.39 3.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.792 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.28 62.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.91 156.42 33.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.953 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.3 OUTLIER -115.38 147.61 39.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.916 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.02 154.81 42.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.766 HG22 ' HD2' ' A' ' 128' ' ' PRO . 9.4 m -36.9 97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -67.36 -27.28 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.622 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -132.18 169.65 13.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.95 -15.63 20.75 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 9.3 mt-10 -59.3 -62.05 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 70.3 mm-40 -45.43 -47.53 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.4 tp -60.86 -36.72 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.6 m-20 -65.97 -20.48 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 30.4 mtp180 -74.95 -22.35 58.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 133' ' ' ILE . 33.8 m -119.72 17.26 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -86.5 103.32 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.95 HD11 ' HA ' ' A' ' 43' ' ' VAL . 17.3 mt -59.81 176.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.4 p -146.87 140.46 25.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 5.7 ttp85 -36.78 -54.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 32' ' ' ARG . 20.0 m-70 -50.77 -61.23 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -48.19 -44.79 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.786 ' CD1' HG11 ' A' ' 103' ' ' VAL . 40.1 mt -64.54 -42.46 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -24.77 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.651 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 3.0 mtt85 -91.82 -50.27 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.545 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.1 m0 -67.37 -18.98 65.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.38 -17.02 64.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.281 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.2 p80 -106.94 10.47 30.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -109.97 159.9 30.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -82.82 46.28 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' O ' HG22 ' A' ' 43' ' ' VAL . 59.8 t80 -81.38 -73.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.91 -47.5 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -52.08 59.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 48.3 m -64.54 -72.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.95 ' HA ' HD11 ' A' ' 25' ' ' LEU . 17.3 m -37.25 -42.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.9 m -57.87 113.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.36 -1.67 26.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' ' 140' ' ' ILE . 85.3 m -105.24 -175.08 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 12.8 m-85 -132.27 145.97 51.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 25' ' ' LEU . 27.3 m -132.85 145.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.51 110.78 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.3 tp -100.02 153.06 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.94 91.92 0.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.963 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -51.37 -38.66 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' N ' HG12 ' A' ' 52' ' ' ILE . . . -169.18 -174.52 37.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 54' ' ' ASN . 2.4 p-10 178.3 78.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -170.8 68.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 55' ' ' HIS . 3.1 m-20 162.28 95.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt 66.91 157.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.66 8.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 52' ' ' ILE . 2.5 t -130.1 124.99 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 26.7 m-85 -141.58 149.8 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' CG ' HD12 ' A' ' 52' ' ' ILE . 8.6 mmp_? -139.72 159.86 41.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 112' ' ' GLU . 55.5 t -102.19 126.82 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -129.38 154.37 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 24.3 tt0 -111.43 140.73 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 8.9 mt -76.08 129.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.516 HG21 ' HB2' ' A' ' 90' ' ' ARG . 2.8 p -113.64 -8.96 13.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.46 -165.76 36.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -138.31 124.34 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.7 m -98.89 179.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.2 pt-20 -133.36 117.5 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -87.5 174.47 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 -32.62 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -94.96 151.27 19.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.862 HG22 ' HB3' ' A' ' 84' ' ' ASN . 12.1 t -110.22 148.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 34.1 p90 -135.89 160.02 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 6.5 tt0 -76.41 149.27 36.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.6 tp -148.41 90.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.78 59.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.73 -40.08 1.86 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 6.1 t -83.87 145.15 28.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.433 ' CD ' HG12 ' A' ' 75' ' ' VAL . 1.1 mtt180 -100.6 113.03 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.488 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 14.7 t -113.4 165.85 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.862 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.1 p-10 -138.89 43.05 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -119.91 122.47 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.723 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.71 113.24 4.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.646 ' C ' HG23 ' A' ' 97' ' ' VAL . 5.7 mt -69.49 112.83 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 1.8 tt0 -76.17 112.52 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.6 mt -115.8 137.32 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.516 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.6 OUTLIER -120.37 116.36 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -105.97 119.55 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.529 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 58.85 -126.22 41.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.78 21.6 11.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.88 133.32 50.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 154.01 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 17.1 mtt180 -160.88 -180.0 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 70' ' ' VAL . 2.9 p -157.96 110.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 50' ' ' ILE . 14.8 m-85 -106.04 179.77 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -94.12 162.01 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.5 mp -65.53 -29.88 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.97 -44.84 87.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -76.82 -20.1 56.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 30' ' ' LEU . 2.9 t -67.68 91.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 161.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -123.04 41.27 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.06 155.89 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.27 132.35 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -50.3 134.31 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.5 t -99.61 155.03 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -50.32 -57.48 7.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.0 t -41.33 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -43.51 -63.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.495 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.2 t80 -36.17 -60.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.09 -55.03 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -39.17 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.3 -49.57 48.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -46.8 -42.07 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -46.97 -51.45 17.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.88 -37.61 69.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.707 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.4 mmm -74.88 -38.28 61.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.33 -28.47 62.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -77.4 -48.43 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.531 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -73.65 -8.33 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.25 77.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mtp -79.85 169.93 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' O ' ' CE ' ' A' ' 120' ' ' MET . 51.8 mt-30 -110.49 152.39 26.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -95.65 -174.14 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.766 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.1 p -80.07 138.88 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.6 mm? -39.35 -33.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -60.03 -53.44 57.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.0 mt-10 -63.99 -35.55 81.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.1 mm -60.16 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.45 -54.82 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -49.5 -48.73 47.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -66.93 -53.02 35.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -40.42 -58.85 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.43 HD13 ' HD3' ' A' ' 141' ' ' LYS . 1.7 mm? -47.45 -50.01 23.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -44.53 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.657 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.88 -56.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.43 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -39.82 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' LYS . 40.5 mt-10 -38.1 -46.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.09 70.96 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.3 t 62.08 143.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.032 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.2 99.38 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.63 14.16 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.98 141.87 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.1 p -112.58 153.83 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -169.93 158.76 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -178.06 164.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 -106.89 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 70.28 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.01 173.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.09 162.49 35.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 127.38 10.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.63 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.51 126.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.82 -179.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 1.077 ' CG ' HD12 ' A' ' 130' ' ' LEU . 3.2 pm0 -96.91 144.15 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.919 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.97 161.72 38.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.69 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.3 m -40.28 98.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -63.25 -30.1 71.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -130.65 171.3 9.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.93 -25.68 11.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.7 mt-10 -53.08 -59.74 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 14.4 mm-40 -47.04 -45.54 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.2 tp -65.61 -26.07 67.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLU . 33.9 m-20 -82.71 -17.1 45.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 4.3 mtt85 -74.09 -29.38 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 133' ' ' ILE . 34.2 m -112.29 25.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' NH2' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -86.43 123.91 32.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 10.3 mt -82.36 161.32 22.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ARG . 26.4 p -135.6 139.7 44.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 6.8 ttp85 -35.47 -50.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -66.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 0.9 OUTLIER -46.15 -34.36 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 25' ' ' LEU . 69.2 mt -70.25 -58.05 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -47.35 -23.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -52.28 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 9.7 m0 -68.48 -11.05 59.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -63.19 -14.07 44.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -108.75 -13.76 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.27 152.16 94.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -85.5 16.96 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 43' ' ' VAL . 51.7 t80 -40.6 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -45.1 -47.28 12.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -54.0 -52.44 60.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' VAL . 74.9 m -62.13 -72.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.735 ' HB ' HD13 ' A' ' 66' ' ' ILE . 35.3 m -38.58 -44.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.0 m -55.92 104.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.81 -27.9 5.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.855 ' SG ' HD11 ' A' ' 140' ' ' ILE . 71.8 m -80.37 159.51 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.603 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 19.0 m-85 -108.87 148.4 30.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.3 m -137.53 150.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 115.07 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.6 tp -103.89 150.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.21 104.33 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.12 -89.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.54 -119.59 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 8.9 p-10 -178.32 156.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 3.4 m80 -173.21 -172.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -52.24 178.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m 49.27 -177.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.04 165.77 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.22 31.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 9.8 p -106.11 145.75 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.487 ' CZ ' ' NE2' ' A' ' 106' ' ' GLN . 34.9 m-85 -151.56 149.9 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 9.4 mmt180 -129.1 139.3 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.496 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 74.6 t -83.94 122.4 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.55 160.04 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 tt0 -122.79 131.03 53.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.735 HD13 ' HB ' ' A' ' 43' ' ' VAL . 46.3 mt -64.51 106.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' GLU . 10.4 p -94.05 9.9 35.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.2 -177.49 25.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.12 121.44 51.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 86' ' ' GLY . 29.7 m -98.35 177.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.46 147.78 45.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.5 p -121.38 176.73 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.51 -29.76 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -96.28 146.53 24.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.9 t -113.45 147.36 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.0 p90 -135.16 164.32 27.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -78.76 150.29 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 81' ' ' THR . 16.0 tp -151.46 88.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.6 19.02 70.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.45 -37.99 3.12 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 78' ' ' LEU . 15.0 t -84.67 146.78 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -105.46 111.72 24.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 t -113.64 166.11 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.917 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.5 p-10 -140.84 40.98 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -112.81 119.48 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.612 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -87.76 116.91 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 103' ' ' VAL . 7.1 mt -70.36 114.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -77.92 98.79 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.2 mt -109.84 135.4 50.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -119.49 129.23 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -115.1 117.79 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 61.98 -122.69 29.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.68 21.58 15.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.08 137.22 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.65 155.53 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.0 mtt-85 -145.11 177.33 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' ARG . 48.5 t -156.49 100.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 50' ' ' ILE . 54.9 m-85 -103.87 -168.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 99.5 mtt180 -119.41 160.43 22.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.495 ' O ' ' CD ' ' A' ' 27' ' ' ARG . 8.2 mp -62.18 -26.01 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.7 pt-20 -69.25 -17.8 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 20.5 m-30 -103.65 -9.81 18.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' A' ' 30' ' ' LEU . 8.7 t -74.79 94.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 172.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -133.05 37.04 3.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -93.98 175.14 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.455 ' HA ' ' NH2' ' A' ' 24' ' ' ARG . 7.3 pt-20 -89.75 156.67 18.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.47 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.0 m-85 -85.23 78.7 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' PHE . 49.8 p -38.47 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.56 -26.74 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -73.57 -69.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -59.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.1 t80 -39.58 -51.78 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 mmt -69.86 -38.05 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -38.49 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 4.8 t90 -71.88 -43.33 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 108.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -43.34 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -45.88 -49.9 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.67 -41.88 74.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.583 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.7 mmm -70.62 -40.19 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.77 -33.54 68.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -73.19 -41.54 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.37 3.12 25.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.53 37.9 77.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.26 -175.63 3.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.475 ' O ' ' CE ' ' A' ' 120' ' ' MET . 10.9 pt20 -125.29 149.7 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.919 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.57 -172.83 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.69 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.5 Cg_endo -75.0 122.17 7.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 132' ' ' GLU . 10.5 p -62.37 130.95 47.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 1.077 HD12 ' CG ' ' A' ' 12' ' ' GLN . 47.6 mt -44.42 -30.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -45.08 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -65.98 -37.54 86.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.523 HD13 HG21 ' A' ' 23' ' ' VAL . 2.1 mm -55.6 -61.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -51.75 -57.2 9.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -50.69 -51.46 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 140' ' ' ILE . 11.0 tppt? -57.55 -54.43 46.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 27.7 tt0 -38.66 -63.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.3 mm? -41.45 -51.8 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.92 -42.09 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.855 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.0 mp -67.83 -51.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -51.4 -60.77 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.77 -55.71 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.31 -60.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.9 t -163.81 104.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 138.54 82.13 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.02 133.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.043 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.2 p -162.12 124.78 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.42 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m 58.6 171.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.45 137.34 2.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 155.13 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.06 151.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.36 83.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 161.1 39.3 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.61 152.74 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.454 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 0.3 OUTLIER -162.97 -163.75 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 1.1 tt0 -100.69 131.51 23.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.98 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.422 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -60.9 -28.7 69.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -135.18 170.47 11.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.01 -9.75 20.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.5 mt-10 -68.56 -57.89 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 130' ' ' LEU . 32.9 mm-40 -46.52 -43.93 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.5 tp -64.58 -31.42 72.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.8 m-20 -74.06 -17.19 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.99 -26.65 54.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 133' ' ' ILE . 15.7 m -115.18 15.81 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 39.2 ttp85 -81.82 99.6 9.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD21 ' A' ' 30' ' ' LEU . 7.4 mt -54.57 160.89 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.0 t -134.28 132.63 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.1 ttp180 -36.32 -42.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -57.07 -62.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -48.59 -48.12 39.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HD13 ' A' ' 25' ' ' LEU . 10.8 mt -57.99 -55.8 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.75 -23.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -92.59 -51.17 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.951 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.1 m0 -68.66 -8.93 46.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 p -61.11 -15.83 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -113.49 -13.39 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.453 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 9.2 mmt -60.68 157.9 35.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -88.08 30.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 43' ' ' VAL . 15.4 t80 -51.19 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.13 -41.97 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -45.47 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' VAL . 84.7 m -72.88 -71.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 39' ' ' PHE . 5.0 m -35.7 -36.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.5 m -66.38 107.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.37 -21.22 7.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 140' ' ' ILE . 51.5 m -85.72 174.9 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 20' ' ' LEU . 15.6 m-85 -120.89 141.17 50.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 66' ' ' ILE . 33.0 m -132.27 140.36 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 123.13 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 50' ' ' ILE . 5.9 tp -100.42 147.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -113.68 70.11 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.02 HD11 HG12 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -33.96 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 152.09 -146.69 15.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.498 ' HA ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -140.34 -75.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER 86.06 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.34 -178.92 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -49.74 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.98 148.09 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.35 14.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.02 HG12 HD11 ' A' ' 52' ' ' ILE . 10.9 t -141.46 120.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -142.8 153.18 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -142.29 150.29 40.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.723 HG13 ' CE1' ' A' ' 108' ' ' PHE . 58.9 t -90.25 145.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -151.71 145.53 25.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.0 tt0 -109.26 132.26 54.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.625 ' CD1' HD12 ' A' ' 25' ' ' LEU . 40.2 mt -65.17 131.86 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 90' ' ' ARG . 5.0 p -111.79 -7.66 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.72 -170.57 39.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 67.0 t -132.82 122.22 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 97' ' ' VAL . 18.3 m -98.52 179.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -130.23 117.49 19.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.4 p -85.96 174.25 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.69 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -97.17 154.69 17.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.854 HG22 ' HB3' ' A' ' 84' ' ' ASN . 13.4 t -111.14 144.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 50.7 p90 -132.09 159.34 39.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -77.85 150.67 34.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' THR . 13.8 tp -148.93 90.06 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.62 14.68 60.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.98 -40.71 1.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.5 t -83.86 140.91 31.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.1 mtt180 -101.8 113.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.5 t -112.68 164.29 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.7 p-10 -132.53 38.51 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -120.66 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.589 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -103.83 124.61 8.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 30' ' ' LEU . 6.0 mt -76.23 111.97 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.0 tt0 -76.31 109.7 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 14.8 mt -113.84 123.5 49.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.783 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.5 ttm180 -108.21 116.9 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' ASP . 74.7 t60 -101.47 120.98 41.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.504 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 47.76 -123.9 9.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.81 16.53 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 109.32 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -120.22 138.04 53.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -105.31 141.66 36.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.6 mtt-85 -147.12 172.81 13.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 70' ' ' VAL . 3.1 p -160.36 100.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 27.6 m-85 -99.4 -175.08 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 32.8 mtt180 -101.46 165.52 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 7.6 mp -66.11 -29.81 70.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.4 pt-20 -62.18 -30.63 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.3 m-30 -91.36 -6.18 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 30' ' ' LEU . 14.2 t -80.92 96.31 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -54.62 178.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -138.99 52.5 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 3.9 tt0 -117.49 179.5 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -103.93 139.21 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.723 ' CE1' HG13 ' A' ' 63' ' ' VAL . 13.6 m-85 -60.2 120.15 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.52 150.44 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -39.81 -64.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -39.29 -70.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 55.9 mm-40 -44.53 -63.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 25.3 t80 -37.54 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.02 -33.88 76.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 60.8 mmtt -64.6 -46.45 82.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -65.07 -43.56 91.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -49.13 -46.95 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.15 -53.2 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.42 66.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.543 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 31.3 mmm -65.12 -40.88 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.66 -37.35 79.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -42.72 69.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.63 -0.28 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.44 35.63 73.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -91.58 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.543 ' O ' ' HE1' ' A' ' 120' ' ' MET . 6.0 mt-30 -127.21 146.1 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.3 -176.18 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.98 127.66 10.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.454 ' HB ' ' CB ' ' A' ' 11' ' ' SER . 2.1 p -73.38 136.79 44.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.1 mt -41.04 -39.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -61.32 -50.52 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.2 mt-10 -60.82 -37.94 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.582 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.1 mm -58.04 -54.14 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.91 -56.72 16.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.66 -49.28 38.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.685 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -65.71 -50.06 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 20.9 tt0 -44.05 -60.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.0 mm? -46.46 -47.04 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.5 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.3 mp -65.72 -60.27 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.477 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -41.98 -57.3 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -45.11 -54.17 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.6 t -155.41 149.11 25.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 152.27 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.73 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.2 p -170.47 135.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.36 105.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.56 170.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.97 148.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 115.7 1.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.35 162.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -172.31 170.39 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.08 159.44 29.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.03 28.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 133.91 17.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -154.87 80.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -163.59 173.89 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.838 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -117.18 146.02 37.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.842 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 152.21 40.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 128' ' ' PRO . 5.0 m -35.89 135.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.15 -2.31 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -147.64 163.33 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 -5.19 16.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 4.7 mt-10 -73.3 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 34.0 mm-40 -49.13 -39.65 29.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.5 tp -72.01 -23.55 61.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' OD1' ' NH1' ' A' ' 24' ' ' ARG . 42.6 m-20 -81.85 -17.37 47.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 28.0 mtp85 -74.14 -40.09 62.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 14.1 m -103.82 19.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -80.24 133.45 36.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -87.15 157.26 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 48.0 t -133.09 138.24 46.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 8.1 ttp85 -37.8 -45.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.47 -64.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.59 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 7.1 mtmt -47.79 -43.55 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 25' ' ' LEU . 74.5 mt -62.41 -47.26 84.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -23.95 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -50.68 5.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 1.005 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.56 -17.51 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t -66.51 -16.14 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -108.01 7.82 28.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -107.71 159.99 28.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -81.29 47.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 63.5 t80 -82.78 -71.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.585 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.44 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -55.48 -49.06 73.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.7 m -69.39 -71.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.8 m -35.77 -38.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.4 m -64.15 109.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.31 -18.87 13.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 140' ' ' ILE . 98.1 m -80.62 176.98 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 34.5 m-85 -128.8 129.76 46.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.2 m -122.88 152.12 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.34 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 98' ' ' PHE . 5.8 tp -99.18 155.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -118.85 75.41 0.3 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.105 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -35.98 -43.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 0.81 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 165.78 -137.68 4.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.592 ' HA ' HG23 ' A' ' 60' ' ' VAL . 13.5 p-10 179.29 158.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.258 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.02 -176.43 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.67 77.97 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.6 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -135.13 160.23 69.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.94 13.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.105 HG12 HD11 ' A' ' 52' ' ' ILE . 18.4 t -141.32 126.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 27.9 m-85 -140.78 154.64 46.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.614 ' HG2' HD12 ' A' ' 52' ' ' ILE . 1.8 mmm-85 -135.29 153.73 51.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 108' ' ' PHE . 97.1 t -107.1 121.82 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -126.2 160.53 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 25.3 tt0 -116.78 125.82 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.586 ' CD1' HD12 ' A' ' 25' ' ' LEU . 41.1 mt -62.92 123.31 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.499 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -104.4 -11.81 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.58 -169.51 42.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 43' ' ' VAL . 69.7 t -135.31 123.12 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.7 m -98.89 -179.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.2 pt-20 -134.48 118.63 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -89.5 -176.26 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.07 -28.39 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -93.9 150.57 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.931 HG22 ' HB3' ' A' ' 84' ' ' ASN . 31.1 t -117.56 149.99 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.533 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 41.5 p90 -142.0 158.81 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.23 148.81 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 81' ' ' THR . 14.2 tp -151.54 88.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.45 21.55 70.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.95 -41.52 2.08 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.4 t -84.45 145.17 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mtm-85 -102.21 113.0 25.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -113.23 168.92 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.931 ' HB3' HG22 ' A' ' 75' ' ' VAL . 14.2 p-10 -146.32 32.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -101.93 123.5 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.928 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.91 105.01 3.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -59.04 115.63 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -77.81 96.52 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.502 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.2 mt -97.91 160.07 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HB2' HG21 ' A' ' 67' ' ' THR . 7.7 ttm-85 -139.66 125.6 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' ASP . 85.2 t60 -107.24 90.51 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.31 -110.56 3.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -106.24 21.8 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -130.71 130.35 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 21.5 tt0 -95.41 158.92 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtt180 -152.85 -179.51 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -149.68 106.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 50' ' ' ILE . 91.4 m-85 -110.83 -170.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 3.0 mmt85 -118.99 163.73 16.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -64.67 -36.08 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.9 pt-20 -54.87 -38.68 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.6 m-30 -80.72 -29.78 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 13.2 t -55.49 103.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -54.51 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -146.01 -45.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -41.2 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.472 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.3 mt-10 -64.94 170.34 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 63' ' ' VAL . 2.1 m-85 -84.55 109.44 17.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.0 p -62.51 133.72 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -40.1 -36.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.6 m -68.74 -69.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -38.11 -62.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -44.01 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.5 mmt -48.28 -46.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -50.08 -43.89 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 3.0 t90 -66.98 -48.98 66.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -43.96 -45.96 8.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.39 -53.14 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.76 -44.43 63.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.801 ' HE2' HD23 ' A' ' 127' ' ' LEU . 33.1 mmm -66.88 -41.75 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.31 -36.4 76.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -37.93 63.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.97 1.54 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.29 30.26 61.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.79 178.63 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.495 ' O ' ' HE1' ' A' ' 120' ' ' MET . 3.6 mm-40 -116.98 150.33 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -96.52 -173.42 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.79 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 131.3 14.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -76.44 138.18 40.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.58 -41.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.3 -54.17 47.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.6 mt-10 -56.19 -35.38 67.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.559 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.8 mm -62.06 -59.69 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.05 -56.62 18.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -48.64 -48.64 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 12.1 tppt? -64.42 -45.84 85.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.2 tt0 -44.86 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.1 mm? -41.1 -52.77 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.87 -44.1 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.8 mp -65.35 -57.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -42.23 -59.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.79 -60.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.5 165.26 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -76.88 149.76 36.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.76 9.49 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 79.9 p -162.27 166.41 25.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 t -149.05 166.88 27.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.74 126.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.72 143.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 -109.64 0.37 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m 63.09 143.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.04 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -178.83 156.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.32 147.72 15.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.8 14.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.02 126.12 9.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 9' ' ' PRO . 1.1 mttm -157.91 106.2 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 -162.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.629 ' CG ' HD23 ' A' ' 130' ' ' LEU . 4.6 pt20 -120.58 156.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.893 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 159.7 40.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 128' ' ' PRO . 3.6 m -36.92 114.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -32.1 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.66 170.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -12.71 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -64.76 -59.62 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 43.1 mm-40 -42.93 -47.56 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 47' ' ' PHE . 11.5 tp -63.55 -39.35 94.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.1 m-20 -60.48 -28.06 68.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 13.6 mtp85 -64.36 -49.38 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.07 25.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 22.9 ttp85 -84.93 82.37 8.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.973 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -41.21 161.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ARG . 78.6 p -131.15 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -36.75 -49.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.23 -61.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 5.9 mtmm -47.95 -46.6 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 25' ' ' LEU . 15.6 mt -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -27.2 67.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.8 mtt180 -90.69 -49.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.943 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.1 m0 -67.86 -16.64 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.58 -15.68 61.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 3.5 p-80 -110.55 4.71 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.478 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.1 mmm -99.29 160.52 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.766 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -80.75 47.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 43' ' ' VAL . 67.3 t80 -81.01 -73.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -51.15 -47.09 62.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -48.98 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' VAL . 52.2 m -69.3 -72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.752 ' HA ' HD11 ' A' ' 25' ' ' LEU . 6.5 m -36.36 -37.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -61.67 105.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.47 -21.39 7.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.78 167.2 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.8 m-85 -116.05 148.16 40.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 66' ' ' ILE . 28.0 m -129.88 150.2 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -94.36 107.48 19.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.1 tp -100.52 153.68 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.19 105.06 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.014 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -47.58 -89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.16 -145.2 6.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -179.85 123.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.35 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.565 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -50.32 160.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.85 133.41 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp 63.9 160.79 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.014 HG22 HD11 ' A' ' 52' ' ' ILE . 14.4 p -149.62 147.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 40.1 m-85 -151.34 157.38 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -135.99 122.71 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 70.5 t -77.46 133.04 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -143.61 164.76 29.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 3.7 tt0 -120.33 133.83 55.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 ' CG1' ' A' ' 48' ' ' VAL . 35.0 mt -67.55 106.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 p -93.62 7.35 45.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.8 -176.79 29.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -128.24 124.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 HG11 ' A' ' 97' ' ' VAL . 28.4 m -99.4 -177.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 6.4 pt-20 -141.73 124.8 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -99.13 168.93 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.95 -33.82 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.7 tptm -95.1 148.5 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.86 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.5 t -110.57 144.6 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 30.0 p90 -126.78 156.35 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -70.03 145.79 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 81' ' ' THR . 15.6 tp -146.99 92.95 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.37 15.03 60.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.86 -37.72 3.01 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.8 t -84.82 144.29 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -95.65 113.1 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.592 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.4 t -112.81 167.76 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.86 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.2 p-10 -140.23 14.07 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE3' HG12 ' A' ' 69' ' ' VAL . 5.4 mtpp -101.19 103.52 14.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.68 144.52 24.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 15.0 mt -86.38 122.73 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.36 95.69 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.5 mt -98.64 141.55 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -126.36 116.56 21.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -100.61 93.61 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.597 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.495 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 76.34 -126.97 8.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.07 14.61 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.76 134.64 54.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 35.2 tt0 -99.14 156.57 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' LEU . 37.2 mtt85 -151.8 -178.9 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 70' ' ' VAL . 25.5 t -150.85 109.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 50' ' ' ILE . 69.0 m-85 -113.0 155.05 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 17.1 mtt180 -79.14 160.49 26.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.8 mp -68.33 -37.7 80.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 9.9 pt-20 -53.92 -29.03 40.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-30 -82.8 -30.66 28.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 39.1 t -55.85 115.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.42 174.7 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -114.18 -37.1 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.58 167.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.404 ' HA ' ' CD ' ' A' ' 24' ' ' ARG . 2.0 mt-10 -94.65 160.08 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -65.9 158.47 27.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 t -130.35 146.7 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -39.44 -53.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 m -43.19 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -46.4 -63.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.545 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.8 t80 -36.22 -52.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.55 -44.46 78.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -59.02 -42.12 89.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 5.1 t90 -68.65 -47.61 66.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.007 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -43.31 16.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.71 -50.43 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.07 -36.59 63.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.757 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.5 mmm -74.78 -38.95 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.85 -32.58 67.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -73.89 -43.69 57.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.53 2.6 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 55.43 39.12 72.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.12 -174.0 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.486 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.9 mt-30 -126.44 149.04 49.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.893 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.23 -172.42 0.32 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.99 131.32 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -74.57 134.24 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 12' ' ' GLN . 3.5 mm? -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.99 -56.52 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' THR . 48.9 mm-40 -53.24 -39.83 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.499 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.4 mm -55.7 -60.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.45 -53.64 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -48.5 -47.85 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -65.21 -57.98 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.1 tp10 -41.12 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.8 OUTLIER -43.3 -37.18 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -64.39 -42.68 96.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.569 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -58.33 -45.76 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -57.57 12.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.33 -49.31 61.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.46 -59.14 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.56 117.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.97 82.61 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.43 42.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.96 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.04 164.14 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -165.36 161.72 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -161.69 168.32 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.92 166.97 39.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 p -174.79 150.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.71 147.65 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.58 82.62 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -74.98 141.16 26.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.3 Cg_endo -74.96 173.18 14.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.93 126.82 46.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.423 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 0.3 OUTLIER -152.77 -161.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 1.3 tt0 -100.68 132.1 22.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.947 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 100.89 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.7 m 23.23 88.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.439 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -59.31 -28.83 67.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.83 170.88 9.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.0 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.2 -55.75 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 130' ' ' LEU . 23.0 mm-40 -49.07 -44.02 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 47' ' ' PHE . 7.6 tp -65.41 -31.2 72.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.78 -25.2 62.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.3 mtp-105 -64.74 -46.49 82.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 133' ' ' ILE . 30.1 m -91.31 23.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -78.85 104.4 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.92 HD11 ' HA ' ' A' ' 43' ' ' VAL . 13.6 mt -66.5 164.15 17.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 p -133.17 138.03 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.0 ttp180 -39.26 -53.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 9.9 m80 -48.78 -64.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -43.65 -43.25 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.601 ' CD1' HG11 ' A' ' 103' ' ' VAL . 22.8 mt -66.14 -41.3 90.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -61.54 -26.55 68.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -91.26 -49.93 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.543 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.0 m0 -67.49 -16.98 64.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.75 -17.58 61.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 5.7 t-80 -108.83 5.54 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 17.6 mmm -97.23 160.78 28.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -51.7 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -83.02 45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.864 ' O ' HG22 ' A' ' 43' ' ' VAL . 58.4 t80 -74.54 -64.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -60.3 -45.04 94.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.26 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' THR . 69.1 m -67.02 -72.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.92 ' HA ' HD11 ' A' ' 25' ' ' LEU . 33.1 m -36.96 -33.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.3 m -66.68 118.47 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.38 11.06 28.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.5 m -117.32 -172.74 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CD1' HD11 ' A' ' 20' ' ' LEU . 29.1 m-85 -140.68 139.77 34.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 66' ' ' ILE . 4.2 m -126.63 153.17 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.26 110.97 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 102' ' ' PHE . 4.5 tp -100.15 151.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.57 87.55 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -43.65 -69.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' H ' ' CG1' ' A' ' 52' ' ' ILE . . . -135.51 -138.69 3.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 170.64 139.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -164.4 -70.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.63 166.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -61.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -84.71 158.56 59.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.52 31.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.637 HG23 HG12 ' A' ' 52' ' ' ILE . 1.9 m -106.35 148.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -154.5 141.63 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HG3' HG22 ' A' ' 50' ' ' ILE . 6.8 ptp180 -131.98 139.8 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 46.4 t -67.95 144.41 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -146.1 123.66 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 33.9 tt0 -86.08 130.01 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.23 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 48' ' ' VAL . 6.8 mt -80.16 122.92 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.7 p -107.48 -14.2 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.94 -170.57 43.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 54.6 t -130.99 129.14 63.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 97' ' ' VAL . 27.2 m -100.78 -177.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.7 pt-20 -141.89 119.77 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.7 p -89.25 170.33 10.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.28 -34.94 20.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.34 148.72 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.936 HG22 ' HB3' ' A' ' 84' ' ' ASN . 37.1 t -108.1 148.89 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 31.4 p90 -132.09 157.49 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.44 143.9 49.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 20.3 tp -141.94 85.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.06 15.63 69.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.9 -40.95 1.84 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.53 146.13 27.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.578 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.2 mtt180 -100.41 112.34 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 75' ' ' VAL . 14.6 t -114.0 167.43 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.936 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.7 p-10 -143.87 42.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -129.12 92.76 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.92 151.82 49.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD12 HG21 ' A' ' 103' ' ' VAL . 13.7 mt -88.74 119.98 29.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -77.85 95.62 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.957 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 22.8 mt -100.04 136.1 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . 14.0 ttp180 -110.46 116.14 30.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -102.87 123.36 46.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.484 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.21 -105.82 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.09 -8.92 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 166.37 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.04 156.54 26.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -141.52 -178.18 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 96' ' ' ARG . 18.0 t -157.33 110.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 50' ' ' ILE . 87.6 m-85 -115.72 158.37 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 14.8 mtt-85 -82.47 162.96 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.4 mp -70.99 -19.33 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.6 pt-20 -74.58 -12.81 60.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.735 ' O ' HD12 ' A' ' 50' ' ' ILE . 17.9 m-85 -110.96 17.57 20.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.732 HG21 HD12 ' A' ' 87' ' ' LEU . 3.3 t -104.12 98.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -67.15 171.31 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 104' ' ' SER . 6.4 m-20 -133.86 67.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -129.11 175.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.72 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.34 145.58 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 112' ' ' GLU . 14.8 t -107.82 136.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -38.22 -40.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.58 ' H ' HG23 ' A' ' 109' ' ' THR . 5.1 pt-20 -48.19 -44.84 33.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.0 t80 -53.68 -48.6 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 mmt -72.71 -37.27 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 t90 -69.82 -45.38 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -48.81 -45.65 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' CA ' ' A' ' 92' ' ' GLY . . . -54.81 -45.47 74.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -66.42 -38.93 88.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.18 -37.32 72.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -37.84 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.76 32.18 78.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.484 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.64 -171.11 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.512 ' O ' ' HE1' ' A' ' 120' ' ' MET . 67.1 mt-30 -127.29 146.06 50.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.32 -175.38 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.585 ' CD ' ' HB3' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 126.67 10.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.5 p -72.85 135.88 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.7 mt -41.23 -40.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -60.39 -43.47 96.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.562 HG23 HG13 ' A' ' 23' ' ' VAL . 1.4 mm -52.72 -56.81 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.6 -64.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -44.2 -57.61 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -49.23 -63.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.473 ' HA ' HD13 ' A' ' 140' ' ' ILE . 2.7 tp10 -38.4 -57.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.51 HD13 ' NZ ' ' A' ' 141' ' ' LYS . 4.2 mm? -42.27 -43.74 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -56.24 -42.15 76.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.543 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -61.34 -56.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.51 ' NZ ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -41.04 -63.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.42 -40.81 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.25 73.02 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.27 164.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 76.62 98.45 0.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 t 62.0 135.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.7 m -130.35 161.0 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -164.36 78.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m 64.02 167.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.945 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 145.91 6.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.06 160.38 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.84 168.23 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 108.04 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.42 13.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.05 143.6 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.408 ' HB3' ' HB ' ' A' ' 129' ' ' THR . 0.3 OUTLIER -174.05 -149.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 1.1 tt0 -114.99 129.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.927 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.2 m 22.43 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -56.5 -30.82 63.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.758 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -137.91 174.01 4.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.94 -6.26 17.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -71.0 -58.93 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.758 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.7 mt-10 -46.73 -46.78 20.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 47' ' ' PHE . 10.1 tp -62.3 -27.25 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.0 m-20 -82.01 -25.01 35.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.6 mtp180 -68.65 -8.11 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 133' ' ' ILE . 16.7 m -134.56 30.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 23.2 ptt180 -86.18 111.71 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 4.8 mt -67.65 151.46 47.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ARG . 1.7 p -123.62 131.7 53.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 10.5 ttp-105 -35.32 -46.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -51.85 -61.55 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 8.7 mtmt -51.88 -41.02 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 25' ' ' LEU . 68.8 mt -63.95 -44.68 92.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -30.52 70.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -85.53 -50.91 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 8.7 m0 -66.9 -16.74 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -65.64 -17.63 64.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 3.4 p80 -107.79 9.74 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.494 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -105.98 160.1 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -81.46 47.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 43' ' ' VAL . 62.5 t80 -79.95 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.38 -46.31 47.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -48.66 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 93.1 m -69.69 -72.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.605 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.9 m -37.03 -35.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.7 m -63.34 106.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.62 -18.91 9.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.3 m -82.88 168.15 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 20' ' ' LEU . 30.7 m-85 -122.94 130.34 52.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.9 m -123.36 147.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 110.86 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.8 tp -101.02 150.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.71 121.13 5.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -69.83 -32.15 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 170.29 75.05 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' PRO . 17.2 p-10 -64.88 155.88 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -154.83 176.88 11.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -40.78 93.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -70.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 157.52 74.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.606 ' O ' ' O ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 -36.87 2.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.606 ' O ' ' O ' ' A' ' 59' ' ' PRO . 1.5 m 51.07 116.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.07 161.83 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 50' ' ' ILE . 10.5 mmt180 -142.17 126.34 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 108' ' ' PHE . 76.0 t -73.01 127.01 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -132.48 158.42 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 11.8 tt0 -122.69 124.29 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 43' ' ' VAL . 29.0 mt -63.32 114.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -99.99 4.05 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.59 -173.32 33.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 79.7 t -131.79 123.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 86' ' ' GLY . 17.7 m -98.69 -177.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -137.88 117.19 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 p -91.28 -177.31 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.39 -28.74 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 156.4 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.835 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.9 t -120.59 149.69 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 32.1 p90 -136.15 161.1 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -79.41 152.18 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 25.5 tp -148.31 72.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.51 30.65 59.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.62 -41.35 2.25 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 7.4 t -83.45 141.69 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mmt85 -106.17 113.58 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 76' ' ' TYR . 12.9 t -112.94 168.61 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.835 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.1 p-10 -137.84 25.93 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -98.72 117.5 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -89.82 110.13 3.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -64.87 117.89 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.577 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -77.89 95.57 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.598 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.8 mt -99.93 129.22 45.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -108.98 134.03 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -124.34 132.8 53.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.57 -102.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.39 18.85 6.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.54 143.88 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.71 154.01 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.527 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 5.5 mtt-85 -144.41 176.29 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.88 105.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 50' ' ' ILE . 77.3 m-85 -111.21 164.01 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.24 145.89 25.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.1 mp -52.15 -33.36 39.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 5.8 pt-20 -56.5 -33.26 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.4 m-30 -85.69 -21.1 28.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.778 HG11 ' CD1' ' A' ' 30' ' ' LEU . 3.8 t -67.51 101.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.7 m -78.6 158.64 28.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -118.66 69.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.06 172.3 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.39 139.2 30.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 63' ' ' VAL . 22.6 m-85 -67.16 127.65 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 112' ' ' GLU . 3.5 t -92.45 145.53 24.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 30.8 tt0 -36.57 -58.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -43.03 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' H ' HG23 ' A' ' 109' ' ' THR . 65.2 mm-40 -42.4 -63.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 21.1 t80 -36.89 -63.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -60.46 -41.39 94.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.72 -41.7 87.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -70.24 -45.17 67.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.33 -44.82 34.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -44.25 -50.48 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.66 75.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.519 ' CE ' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.22 -40.17 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.07 -38.32 85.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -38.87 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.028 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.54 -2.96 41.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.38 62.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -170.58 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' O ' ' HE1' ' A' ' 120' ' ' MET . 2.7 mm-40 -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -90.45 -177.9 0.86 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -74.99 133.77 17.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.32 138.46 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 19' ' ' GLU . 8.5 mt -43.97 -37.96 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.23 -44.1 97.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.5 mt-10 -68.3 -42.19 79.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.592 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -54.97 -48.46 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.56 -59.87 3.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -47.85 -51.12 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.2 tppt? -57.33 -61.15 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.524 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.2 tp10 -42.7 -55.83 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 138' ' ' LEU . 0.4 OUTLIER -44.81 -36.54 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.68 -39.17 93.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.51 -45.62 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -63.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -49.17 -51.58 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.45 -59.19 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.5 t -176.82 100.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.99 124.39 0.75 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 138.43 22.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.58 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 12.5 m -56.77 139.44 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -174.66 106.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.959 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -158.58 163.47 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.79 166.48 33.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.18 134.88 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.77 114.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.4 120.35 0.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -75.08 149.95 37.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.3 Cg_endo -75.0 143.54 29.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -175.33 99.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -178.9 -175.32 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.989 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -105.47 132.99 20.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.951 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.97 106.91 2.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.22 90.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -58.6 -30.11 66.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -136.54 171.31 8.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 71.7 mm-40 -67.52 -51.82 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 133' ' ' ILE . 51.8 mm-40 -52.81 -37.77 60.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.8 tp -73.42 -19.98 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.534 ' OD1' ' CD2' ' A' ' 108' ' ' PHE . 19.8 m-20 -85.4 -16.9 38.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 9.1 mtp-105 -69.5 -49.62 52.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.69 26.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.9 ttm-85 -81.14 103.69 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.737 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -67.19 155.62 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' ARG . 34.6 p -124.97 138.6 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -37.1 -56.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 94.3 m-70 -45.99 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -43.09 -48.7 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 25' ' ' LEU . 16.0 mt -59.16 -64.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -35.43 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -82.33 -51.65 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.737 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.5 m0 -68.05 -14.2 62.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -67.41 -10.13 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.66 4.17 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 37.1 mmm -97.75 160.63 28.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -84.26 45.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CE1' HG11 ' A' ' 43' ' ' VAL . 12.8 t80 -79.1 -72.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -49.2 -53.67 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -56.17 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' VAL . 79.4 m -62.57 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.2 m -35.85 -43.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.8 m -54.59 106.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -25.26 7.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.6 m -76.89 169.37 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 20' ' ' LEU . 21.0 m-85 -124.91 138.47 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.75 144.89 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -84.18 113.46 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -101.03 151.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.61 107.58 1.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.92 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.84 -119.83 1.93 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -174.09 114.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -79.52 -69.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 177.23 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -73.67 103.79 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp 63.84 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 12.1 p -145.73 141.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.26 140.22 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.1 mmp_? -123.52 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.422 HG22 ' CE1' ' A' ' 108' ' ' PHE . 51.9 t -75.24 133.27 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.758 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.32 154.45 47.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -123.12 133.23 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 43' ' ' VAL . 44.1 mt -66.13 109.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -95.75 4.31 53.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.82 -164.71 32.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.626 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 52.2 t -142.28 122.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.733 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 86' ' ' GLY . 33.2 m -98.78 -175.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.6 pt-20 -136.9 121.58 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 77.4 p -93.33 -179.77 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.66 -28.86 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -90.33 149.56 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 84' ' ' ASN . 9.5 t -114.22 147.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 28.1 p90 -140.87 154.67 46.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 19.1 tt0 -70.91 147.94 48.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 81' ' ' THR . 8.2 tp -154.66 86.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.43 82.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.03 -40.83 2.29 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.5 t -83.82 144.85 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mtt180 -110.15 111.38 22.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.0 t -114.27 141.3 47.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.679 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.1 p-10 -107.15 22.41 16.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 69' ' ' VAL . 2.0 mttp -88.23 162.87 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -135.26 121.6 2.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.444 HD12 HG21 ' A' ' 103' ' ' VAL . 8.3 mt -76.7 118.11 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' C ' HD23 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -80.2 101.19 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.758 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -109.99 125.7 53.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -111.34 135.3 52.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -117.99 92.3 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.493 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 81.53 -120.93 5.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -102.16 22.13 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 126.46 31.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -91.9 153.57 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 1.1 mtt-85 -143.15 179.98 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.1 t -153.16 107.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.0 m-85 -109.47 -170.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 49.3 mmt-85 -117.54 163.03 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 78' ' ' LEU . 4.7 mp -65.53 -37.58 87.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 10.9 pt-20 -55.55 -27.34 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.555 ' O ' HD12 ' A' ' 50' ' ' ILE . 15.2 m-85 -102.79 14.68 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.7 t -102.45 96.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -91.84 157.06 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' GLN . 15.1 m-20 -91.53 -66.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER 37.29 -154.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.4 pt-20 -132.2 152.35 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.1 m-85 -84.08 100.03 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 112' ' ' GLU . 9.8 t -71.04 136.58 48.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' THR . 18.9 tt0 -36.44 -49.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -45.71 -72.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' H ' HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -44.07 -64.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 30.1 t80 -37.66 -46.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.92 -38.87 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 3.6 mmmt -63.21 -40.07 96.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 3.8 t90 -70.38 -45.51 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -47.39 -46.28 25.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -42.97 -51.62 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.97 -44.54 70.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.464 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.5 mmm -67.58 -41.32 84.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.88 -34.86 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -39.07 63.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.75 4.64 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.91 37.24 57.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.9 -173.9 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.439 ' O ' ' HE1' ' A' ' 120' ' ' MET . 13.3 pt20 -126.39 145.2 50.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.951 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.12 -178.3 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 130.51 13.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.0 p -81.29 138.97 35.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -40.82 -30.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -67.59 -52.41 38.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -60.88 -42.34 97.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.581 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -53.96 -54.32 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -62.32 -59.64 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 10.9 pttt -47.15 -50.41 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.4 tppt? -57.43 -61.35 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.0 tp10 -43.5 -56.78 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -44.89 -32.17 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -68.58 -42.32 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.531 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -60.74 -50.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -66.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' ALA . 13.0 mt-10 -48.63 -50.86 31.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -39.5 -64.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.1 t -175.41 90.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -178.98 -179.74 48.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.34 18.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.6 t -167.97 130.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 14.2 p -171.33 80.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -171.22 150.88 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -146.69 -58.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.58 171.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -178.4 165.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.94 166.9 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.62 100.16 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -166.23 94.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 -174.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.971 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.0 OUTLIER -112.59 149.27 40.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.884 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 156.64 42.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 128' ' ' PRO . 11.2 m -45.89 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -22.98 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.575 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.96 167.53 21.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.01 -8.56 20.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.8 mt-10 -68.18 -61.83 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 14' ' ' VAL . 80.2 mm-40 -48.44 -41.31 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.0 tp -68.54 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' GLU . 6.3 m-20 -79.11 -13.77 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -78.9 -6.34 55.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 133' ' ' ILE . 3.1 m -132.01 17.81 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.1 ptt85 -73.69 116.56 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -76.82 156.03 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ARG . 84.5 p -119.66 134.7 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' CZ ' ' CB ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -37.83 -55.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -46.84 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 16.1 mttp -42.8 -43.75 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 25' ' ' LEU . 30.4 mt -62.81 -50.76 69.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 1.5 tt0 -56.94 -37.15 71.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -50.71 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.644 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.5 m0 -67.72 -15.81 63.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -64.99 -11.85 43.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 108.281 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -114.17 5.43 15.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.1 mmm -100.72 160.38 26.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -81.54 47.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 43' ' ' VAL . 10.9 t80 -82.76 -72.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.37 -55.06 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -55.92 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 m -59.23 -74.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.793 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.8 m -39.28 -40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.536 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 8.4 m -58.94 106.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.29 -10.37 9.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 140' ' ' ILE . 63.7 m -94.07 170.36 9.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 m-85 -123.44 128.13 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 25' ' ' LEU . 32.8 m -120.14 153.01 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.32 111.59 23.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.555 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -100.44 150.22 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.23 105.33 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -50.11 -87.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.4 -80.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -161.46 176.44 11.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' SER . 28.6 t-80 -151.87 55.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.641 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.13 -72.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 91.4 p -122.63 155.54 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.26 160.29 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.95 2.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 52' ' ' ILE . 9.4 p -150.73 144.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -153.02 142.93 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.585 ' CG ' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -127.05 127.82 45.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.481 HG22 ' CE1' ' A' ' 108' ' ' PHE . 71.7 t -67.62 129.11 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.72 148.63 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 20.0 tt0 -113.66 131.73 56.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 ' HB ' ' A' ' 43' ' ' VAL . 38.7 mt -63.07 116.44 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.1 p -96.31 -8.42 32.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.33 -171.95 39.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.603 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 55.6 t -130.5 121.06 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.3 m -98.33 -176.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.2 pt-20 -137.54 118.11 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.5 p -88.62 171.96 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.91 -32.83 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.82 157.21 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.818 HG22 ' HB3' ' A' ' 84' ' ' ASN . 26.6 t -117.56 147.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 36.3 p90 -133.57 157.72 44.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.6 155.04 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 100' ' ' LEU . 9.0 tp -159.08 90.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.99 13.03 63.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 -34.61 3.99 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 1.7 t -84.22 151.7 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -107.41 113.28 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.574 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.1 t -111.82 165.31 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.818 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.4 p-10 -135.99 11.6 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -93.48 129.08 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.801 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.21 116.54 5.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 30' ' ' LEU . 5.6 mt -68.09 112.28 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.2 tt0 -77.26 110.2 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -118.73 140.64 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' A' ' 67' ' ' THR . 0.5 OUTLIER -114.17 156.88 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -134.87 99.86 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.53 -120.89 16.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -93.67 19.11 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.06 168.11 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.13 149.28 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 15.0 mtt85 -153.08 -179.84 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.716 HG21 HG21 ' A' ' 70' ' ' VAL . 2.8 p -164.51 107.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 16.2 m-85 -103.71 -167.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 103' ' ' VAL . 6.7 mtt180 -108.61 168.5 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 78' ' ' LEU . 5.6 mp -66.48 -35.46 80.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.7 pt-20 -57.73 -39.8 78.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.0 m-30 -79.68 -17.77 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 30' ' ' LEU . 20.4 t -72.85 127.27 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.4 m -103.12 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -132.0 76.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.98 167.51 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.22 119.22 21.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 63' ' ' VAL . 7.7 m-85 -49.02 122.88 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HB2' ' A' ' 112' ' ' GLU . 11.3 t -83.75 158.35 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.34 -58.69 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.485 ' HB2' HG22 ' A' ' 109' ' ' THR . 0.3 OUTLIER -47.49 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 38.2 t80 -34.74 -58.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.91 -42.84 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 112' ' ' GLU . 36.8 mmtt -55.68 -38.85 70.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.74 -45.24 68.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 121' ' ' PHE . 0.6 OUTLIER -50.39 -42.45 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -45.85 -53.02 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.15 -40.59 67.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.917 ' HE2' HD23 ' A' ' 127' ' ' LEU . 30.4 mmm -71.28 -37.8 71.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 117' ' ' LYS . 3.9 m-85 -70.34 -33.71 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -77.86 -45.06 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -10.83 60.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.72 8.54 72.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.0 mtp -77.32 149.97 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.0 pt20 -90.84 157.63 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.917 HD23 ' HE2' ' A' ' 120' ' ' MET . 0.1 OUTLIER -96.27 -172.78 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.02 130.2 13.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -80.46 138.68 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.5 mm? -41.46 -30.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -51.86 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.3 mt-10 -62.65 -41.36 99.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 23' ' ' VAL . 1.1 mm -57.56 -52.75 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.82 -59.74 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -48.81 -49.9 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.6 tppt? -56.69 -58.92 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.0 OUTLIER -40.43 -61.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 141' ' ' LYS . 0.9 OUTLIER -40.99 -45.98 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -43.76 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -59.85 -54.6 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -43.13 -64.99 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -41.8 -36.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -73.79 60.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.7 t -176.75 -55.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 152.35 147.36 4.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.23 42.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.7 m 57.36 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 30.0 t -136.16 83.82 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m 58.3 103.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -167.89 153.11 6.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.89 164.12 12.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.16 167.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.6 161.74 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.57 111.96 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.41 13.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.48 87.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.1 -172.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.936 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.8 tt0 -101.87 132.59 21.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.626 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 24.04 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -33.54 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.63 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.92 173.49 5.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.02 -8.5 20.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.5 mt-10 -70.02 -53.89 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 57.9 mm-40 -50.08 -35.52 25.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.628 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.1 tp -73.75 -24.15 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.7 m-20 -79.61 -19.39 49.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.08 -34.01 65.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.494 HG21 HD13 ' A' ' 133' ' ' ILE . 20.3 m -111.04 19.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 28.3 ttp85 -81.18 99.32 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.002 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -53.43 158.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' ARG . 95.5 p -129.4 128.7 43.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 3.7 ttp-105 -35.83 -38.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 14.1 m170 -63.03 -58.95 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 8.1 mtmm -51.67 -39.22 57.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 25' ' ' LEU . 20.5 mt -64.59 -55.82 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.41 -23.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 28' ' ' HIS . 1.9 mtt-85 -92.0 -50.71 5.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.956 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.7 m0 -68.87 -9.55 52.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -59.65 -16.31 25.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -18.34 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 9.1 mmt -56.4 152.77 22.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.1 p90 -83.75 12.72 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.801 ' CE1' HG11 ' A' ' 43' ' ' VAL . 38.9 t80 -35.39 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -46.31 -46.22 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -54.0 -49.93 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 43' ' ' VAL . 20.3 m -67.65 -71.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.3 m -37.44 -35.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -66.58 111.04 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.82 -6.41 24.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.838 ' SG ' HD11 ' A' ' 140' ' ' ILE . 9.2 m -93.13 -177.09 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.628 ' CG ' HD11 ' A' ' 20' ' ' LEU . 38.2 m-85 -135.12 135.56 41.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' HB ' HG13 ' A' ' 103' ' ' VAL . 9.2 m -134.06 155.23 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 120.12 30.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.77 154.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 53' ' ' GLY . . . -113.67 85.3 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.927 HD11 HG21 ' A' ' 60' ' ' VAL . 38.7 pt -46.57 -25.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 0.724 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 51' ' ' GLY . . . -177.86 -144.25 5.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -160.68 91.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -83.83 150.83 25.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' LYS . 3.2 t-20 -58.19 169.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t 68.33 -67.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -136.81 145.54 51.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 18.3 Cg_endo -74.97 161.69 38.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.927 HG21 HD11 ' A' ' 52' ' ' ILE . 11.5 p -103.46 138.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.17 137.7 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.8 mtt180 -135.41 126.95 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.062 HG22 ' CE1' ' A' ' 108' ' ' PHE . 91.3 t -58.78 143.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.07 152.17 40.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.85 128.78 56.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 29.6 mt -73.29 110.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 18.2 p -90.99 -9.17 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.31 -165.06 38.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.1 124.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 86' ' ' GLY . 24.5 m -98.54 -177.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.4 pt-20 -134.57 116.49 15.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -84.22 166.86 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.57 -42.17 18.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -110.09 139.8 44.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.886 HG12 ' HB3' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -87.51 153.12 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 10.0 p90 -120.8 173.87 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.67 135.85 34.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 31.3 tp -127.0 59.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.75 -30.56 4.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.95 -44.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -84.92 144.58 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -103.27 111.3 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.2 t -117.4 143.67 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.886 ' HB3' HG12 ' A' ' 75' ' ' VAL . 3.3 p-10 -105.63 32.18 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -101.02 145.68 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -123.19 116.92 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 103' ' ' VAL . 6.6 mt -70.9 115.33 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.508 HE21 HG13 ' A' ' 70' ' ' VAL . 1.7 tt0 -79.22 95.54 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.754 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.2 mt -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 4.2 ttt85 -121.12 155.42 34.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -149.95 115.5 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 63.56 -105.2 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -124.8 10.61 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.57 155.11 28.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 96' ' ' ARG . 9.3 tt0 -108.18 155.16 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 42.4 mtt85 -143.08 175.53 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 t -147.26 105.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 85.6 m-85 -110.47 -171.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.58 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 4.9 mmt85 -121.86 160.66 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.1 mp -61.06 -33.18 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.0 pt-20 -61.61 -24.48 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.23 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.7 m-30 -98.72 -1.97 39.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 87' ' ' LEU . 15.0 t -86.27 91.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 163.78 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 106' ' ' GLN . 11.2 p30 -112.86 -160.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 11.8 tt0 78.36 166.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.433 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 2.3 mt-10 -78.37 142.48 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 1.062 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.1 m-85 -49.9 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.2 p -125.72 137.15 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -47.76 -29.25 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t -73.26 -69.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -41.44 -46.55 3.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.5 t80 -50.94 -49.34 60.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.4 mmt -71.83 -40.45 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 t90 -67.91 -46.69 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.28 -48.28 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -40.88 -52.44 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.59 -42.99 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.807 ' HE2' HD23 ' A' ' 127' ' ' LEU . 27.2 mmm -69.18 -40.12 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.29 -33.04 74.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -77.25 -42.91 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.78 -3.16 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.29 28.59 67.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -87.26 -172.16 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CE ' ' A' ' 120' ' ' MET . 5.7 mm-40 -126.77 148.49 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.906 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.04 -177.54 0.75 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.99 -29.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -68.69 -52.06 34.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.0 mm-40 -62.16 -38.55 89.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.626 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -59.76 -49.96 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.25 -60.28 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -49.07 -49.41 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.7 tppt? -59.84 -53.21 60.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 140' ' ' ILE . 36.7 tt0 -43.36 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.559 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.6 mm? -42.82 -46.61 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -41.34 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.838 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -66.56 -49.78 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.559 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -46.83 -59.02 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -42.36 -58.26 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.06 3.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.42 100.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.32 101.44 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.3 t -156.0 172.64 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.61 -57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.95 171.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 61.95 157.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.35 110.7 0.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -178.94 154.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.55 154.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.39 17.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 145.31 31.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.47 96.3 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.434 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 2.7 m -173.4 -178.34 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.994 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 -107.48 132.41 21.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.923 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.92 110.38 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 19.66 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -32.93 63.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -133.44 173.05 6.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -8.92 20.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.4 mt-10 -68.79 -62.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 56.7 mm-40 -42.11 -45.76 4.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 128' ' ' PRO . 6.5 tp -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.2 m-20 -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -63.92 -29.77 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 133' ' ' ILE . 25.3 m -115.65 28.58 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.41 103.35 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 30' ' ' LEU . 9.3 mt -55.56 163.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 68.8 m -139.19 139.72 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 6.8 ttp85 -36.94 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 17.2 mttp -44.89 -36.92 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 25' ' ' LEU . 91.1 mt -70.75 -46.09 63.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -25.15 66.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.84 -51.07 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.919 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.8 -16.42 64.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.46 -16.45 63.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -108.99 4.81 23.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.0 mmm -101.04 159.32 29.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -83.08 45.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' O ' HG13 ' A' ' 43' ' ' VAL . 58.9 t80 -79.74 -69.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.566 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.83 -45.23 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -49.1 73.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' THR . 45.6 m -69.43 -71.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.883 ' HA ' HD11 ' A' ' 25' ' ' LEU . 7.6 m -36.4 -34.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.2 m -68.05 108.69 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.84 -11.78 17.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' ' 140' ' ' ILE . 15.8 m -96.37 156.84 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.6 m-85 -98.74 156.06 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 66' ' ' ILE . 17.0 m -145.3 146.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 113.66 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -101.23 150.06 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.01 105.54 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.078 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -53.66 -100.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.34 111.79 0.55 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -84.91 151.18 24.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.769 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -68.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -167.13 -177.01 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.65 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -135.09 147.61 63.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 18.5 Cg_endo -74.97 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.078 HG22 HD11 ' A' ' 52' ' ' ILE . 12.6 p -148.2 145.34 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -153.55 151.81 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.721 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.0 mmp_? -133.93 123.53 24.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.841 HG22 ' CE1' ' A' ' 108' ' ' PHE . 49.5 t -80.91 128.83 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -137.41 152.94 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.46 126.55 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.579 ' CD1' HD12 ' A' ' 25' ' ' LEU . 14.6 mt -62.18 131.14 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 p -112.58 0.44 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.2 -171.19 35.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 85' ' ' LYS . 77.5 t -134.02 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 86' ' ' GLY . 19.1 m -99.32 -176.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.3 pt-20 -136.32 119.06 16.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -92.72 -172.03 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.28 -29.07 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -94.81 149.01 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 84' ' ' ASN . 23.7 t -118.3 151.27 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 29.2 p90 -141.38 157.79 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 39.7 tt0 -69.97 151.55 45.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' THR . 12.6 tp -152.71 92.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 62.66 16.39 55.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.91 -41.85 1.78 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 78' ' ' LEU . 12.6 t -83.83 144.77 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mmm-85 -102.44 113.16 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -113.08 167.98 10.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.6 p-10 -140.13 14.77 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HD3' HG11 ' A' ' 69' ' ' VAL . 31.7 mttt -84.62 123.0 29.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.844 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -93.26 106.63 3.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 103' ' ' VAL . 7.0 mt -61.98 115.15 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 97' ' ' VAL . 1.7 tt0 -78.41 96.01 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 87' ' ' LEU . 6.3 mt -95.48 157.43 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.4 115.63 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' ASP . 48.2 t60 -100.68 106.15 17.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.579 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.67 -123.06 32.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.83 21.54 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.4 OUTLIER -128.85 131.77 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.16 152.77 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 11.5 mtt180 -150.19 -179.19 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 88' ' ' GLN . 71.6 t -153.67 109.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 50' ' ' ILE . 73.5 m-85 -113.13 -169.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 26.5 mtt180 -115.11 168.38 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.4 mp -67.07 -37.21 83.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.2 pt-20 -54.19 -42.53 69.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.6 m-85 -77.5 -23.85 50.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 30' ' ' LEU . 5.8 t -65.49 94.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -111.49 -33.79 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -48.55 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.18 159.38 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.841 ' CE1' HG22 ' A' ' 63' ' ' VAL . 8.0 m-85 -65.1 142.72 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 112' ' ' GLU . 10.9 t -117.79 156.07 28.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 111' ' ' SER . 40.2 tt0 -43.54 -66.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -38.2 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 109' ' ' THR . 6.2 mm-40 -41.8 -65.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 31.9 t80 -38.05 -50.04 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.6 mmt -71.52 -36.69 71.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 112' ' ' GLU . 45.3 mmtt -62.41 -45.55 92.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.494 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -66.29 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.7 OUTLIER -42.5 -48.0 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.48 -49.61 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.09 69.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.705 ' HE2' HD23 ' A' ' 127' ' ' LEU . 20.4 mmm -69.94 -40.33 75.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.46 -34.27 75.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -74.5 -42.18 59.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.11 -2.14 39.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.68 38.89 94.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.77 -173.9 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.513 ' O ' ' CE ' ' A' ' 120' ' ' MET . 68.1 mt-30 -126.24 149.1 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.77 -175.86 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.01 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.5 p -71.76 140.87 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -43.04 -36.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -45.29 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -65.92 -38.76 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.571 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -57.48 -70.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . 0.534 ' CA ' ' HG3' ' A' ' 137' ' ' GLU . 8.5 t-20 -36.13 -60.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -49.92 -44.26 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 133' ' ' ILE . 15.6 tppt? -63.16 -59.02 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 133' ' ' ILE . 3.3 mt-10 -33.58 -52.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -42.0 -62.63 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.8 t -40.01 -34.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.701 HG23 ' HH2' ' A' ' 33' ' ' TRP . 4.8 mp -84.99 -51.92 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.51 ' HD2' ' CB ' ' A' ' 137' ' ' GLU . 1.3 mttp -48.7 -42.33 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -47.11 -56.74 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -48.95 -58.39 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.9 p -93.27 90.9 6.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -156.79 100.6 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -40.25 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.32 164.94 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.66 122.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.72 114.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -162.14 159.79 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 122.3 0.73 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -179.8 147.91 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 t -146.89 152.5 38.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.75 105.16 0.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.17 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.89 42.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.66 22.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.551 1.816 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.21 80.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 129' ' ' THR . 4.3 t -159.26 -169.73 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.796 ' O ' HD22 ' A' ' 130' ' ' LEU . 2.1 tt0 -110.79 132.67 21.5 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.939 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 Cg_endo -75.04 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 22.97 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -34.34 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -135.92 173.67 5.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.02 -17.92 19.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -61.98 -49.42 76.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.74 ' CD ' HD12 ' A' ' 130' ' ' LEU . 34.6 mm-40 -50.75 -40.86 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HG2' ' A' ' 128' ' ' PRO . 7.7 tp -68.41 -21.44 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 2.1 m-20 -84.03 -10.14 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 11.2 mtp180 -87.16 1.14 53.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 133' ' ' ILE . 8.4 m -147.85 20.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -81.46 82.58 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -38.39 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' ARG . 32.3 t -127.59 134.47 49.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -37.32 -44.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -60.89 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -50.54 -44.32 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 25' ' ' LEU . 25.1 mt -61.46 -44.19 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -30.68 69.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.2 mtt180 -85.14 -49.68 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.816 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.9 m0 -68.01 -14.89 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.05 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -65.76 -18.07 65.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 4.4 p-80 -107.49 5.04 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 mmm -100.56 159.71 28.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -82.62 46.04 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.648 ' O ' HG13 ' A' ' 43' ' ' VAL . 57.1 t80 -79.05 -72.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.604 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.14 -45.43 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.23 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 136' ' ' LYS . 78.1 m -70.16 -72.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.778 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.0 m -35.51 -38.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.5 m -62.41 110.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.02 -4.03 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 140' ' ' ILE . 1.6 m -95.23 179.55 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.7 m-85 -130.31 140.26 50.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.578 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.8 m -136.55 146.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -85.84 112.69 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -102.33 148.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.58 103.27 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -45.72 -88.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASN . . . -112.19 -143.69 9.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 2.2 t-20 161.59 112.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.31 114.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 65.77 144.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m 58.02 169.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.87 163.22 0.18 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.68 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 52' ' ' ILE . 7.2 p -140.29 145.08 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 49' ' ' ARG . 26.6 m-85 -149.72 149.56 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.2 mmp_? -132.98 124.32 27.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.719 HG22 ' CE1' ' A' ' 108' ' ' PHE . 38.3 t -64.09 126.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.46 149.95 52.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 12.9 tt0 -109.93 130.13 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.529 HD12 HD12 ' A' ' 25' ' ' LEU . 4.4 mt -64.68 130.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 90' ' ' ARG . 6.9 p -113.33 -15.02 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.96 -169.23 41.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 40' ' ' ALA . 73.0 t -133.97 121.09 37.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.63 174.69 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.87 149.59 41.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -124.47 179.23 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.23 -29.91 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB3' ' A' ' 84' ' ' ASN . 17.6 t -116.16 148.22 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE2' ' CD ' ' A' ' 99' ' ' ARG . 37.5 p90 -137.29 162.16 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -77.07 148.05 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 21.0 tp -147.05 78.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.37 23.03 78.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.58 -41.27 2.11 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.4 t -84.13 144.39 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.4 mtt180 -104.95 112.8 26.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -114.37 154.51 27.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.849 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.7 p-10 -129.25 36.47 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 25.5 mtmm -111.08 124.99 53.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.527 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -90.18 117.67 5.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . 5.6 mt -75.13 111.95 10.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 2.1 tt0 -75.84 111.09 10.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.6 mt -115.53 124.29 50.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 67' ' ' THR . 23.0 ttp180 -115.3 126.98 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' NE2' ' HB3' ' A' ' 119' ' ' ALA . 19.9 t-160 -120.83 124.43 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 51.38 -133.58 34.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -90.68 19.83 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -127.34 124.78 39.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 149.57 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -159.06 -177.2 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 87' ' ' LEU . 3.5 p -163.93 125.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CG ' HG12 ' A' ' 50' ' ' ILE . 19.4 m-85 -116.62 -164.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.5 mmp_? -106.43 158.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 8.7 mp -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 pt-20 -64.96 -25.56 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 18.8 m-30 -96.7 -5.96 37.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.707 HG11 ' CD1' ' A' ' 30' ' ' LEU . 18.8 t -78.62 111.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 49' ' ' ARG . 5.9 t -55.23 177.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -150.6 40.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -123.28 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.67 139.7 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.719 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.9 m-85 -62.03 120.02 10.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.44 148.98 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 42.3 tt0 -42.12 -62.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.5 m -38.19 -67.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 2.2 mm-40 -37.38 -62.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 12.9 t80 -42.36 -60.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 mmt -59.89 -59.96 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.06 -45.89 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.52 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 8.3 t90 -67.79 -50.71 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -45.13 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.74 -52.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . . . -52.59 -43.64 65.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.68 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.2 mmm -68.23 -41.02 81.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -67.87 -34.76 77.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -75.2 -42.63 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.52 -3.02 31.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.38 32.61 77.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.14 -175.0 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 111.007 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CE ' ' A' ' 120' ' ' MET . 63.1 mt-30 -123.48 148.7 45.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.939 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -90.95 -174.39 0.44 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.618 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.05 128.66 11.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 0.9 OUTLIER -78.51 139.23 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.9 mm? -38.41 -39.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -56.7 -60.6 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 1.6 mt-10 -50.66 -45.42 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -57.51 -55.66 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -55.84 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.8 -54.39 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 3.5 tppt? -53.55 -56.1 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 18.0 tt0 -40.0 -62.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -44.23 -52.95 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.54 -45.64 13.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 3.2 mp -62.77 -55.59 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.423 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.0 OUTLIER -44.93 -56.86 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.18 -59.71 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -41.16 -59.8 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.4 t -160.65 144.28 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 101.17 103.81 2.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.75 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.06 126.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 40.8 p -171.18 107.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 1.002 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.928 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.04 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 21.16 89.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -31.82 63.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 172.43 7.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.94 -8.63 20.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.0 mt-10 -71.71 -57.79 4.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 67.9 mm-40 -46.46 -41.49 14.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.625 HD11 ' CD2' ' A' ' 47' ' ' PHE . 14.3 tp -69.15 -31.5 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' GLU . 4.2 m-20 -70.99 -26.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 46.2 mtp180 -63.51 -39.8 95.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.471 HG21 HD13 ' A' ' 133' ' ' ILE . 30.3 m -104.75 30.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 15.0 ttp85 -93.05 91.15 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.97 HD13 HD21 ' A' ' 30' ' ' LEU . 6.9 mt -41.29 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.416 ' HB3' ' NH2' ' A' ' 24' ' ' ARG . 80.3 p -135.92 138.4 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG2' HD11 ' A' ' 78' ' ' LEU . 13.8 ttp180 -38.8 -41.86 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.1 -68.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 10.5 mtmt -46.13 -38.45 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.97 HD21 HD13 ' A' ' 25' ' ' LEU . 80.1 mt -67.04 -46.9 73.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -28.33 67.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -88.12 -50.15 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.898 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.3 m0 -67.3 -16.94 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.13 -16.05 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.4 p80 -111.1 6.91 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 34.4 mmm -102.22 159.42 29.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -81.95 47.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 43' ' ' VAL . 71.3 t80 -81.48 -72.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.54 -44.73 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -50.48 65.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.5 m -69.58 -72.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.78 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m -35.32 -34.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 5.6 m -68.61 106.89 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.14 -11.92 12.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 56.5 m -88.31 -166.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 20' ' ' LEU . 31.4 m-85 -143.99 140.23 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' A' ' 103' ' ' VAL . 20.7 m -129.45 159.79 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.621 ' NH2' ' CD2' ' A' ' 61' ' ' TYR . 1.4 ttt-85 -102.08 115.3 30.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.238 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.0 tp -100.68 144.06 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -105.37 77.46 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.845 HG12 HD11 ' A' ' 52' ' ' ILE . 1.5 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.621 ' CD2' ' NH2' ' A' ' 49' ' ' ARG . 57.6 m-85 -153.52 156.2 37.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' HD12 ' A' ' 52' ' ' ILE . 12.0 mmm180 -146.02 144.38 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 108' ' ' PHE . 73.4 t -87.08 135.36 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -136.72 149.47 47.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.91 123.24 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.464 HG21 HG23 ' A' ' 43' ' ' VAL . 51.2 mt -64.51 122.42 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 90' ' ' ARG . 18.3 p -101.93 -15.06 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.64 -169.36 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 40' ' ' ALA . 79.1 t -132.69 124.7 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 86' ' ' GLY . 20.9 m -98.7 -177.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.8 pt-20 -133.43 121.88 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -95.43 179.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.64 -31.08 10.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -94.89 144.85 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.978 HG22 ' HB3' ' A' ' 84' ' ' ASN . 39.1 t -107.21 150.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 33.1 p90 -136.44 159.03 43.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -75.76 152.08 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.4 tp -151.33 73.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.2 29.34 60.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.45 -39.47 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -84.37 146.42 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.504 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -109.18 112.67 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.503 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 13.2 t -113.7 167.01 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.978 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.7 p-10 -141.26 44.48 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -118.72 112.25 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.657 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -82.32 118.76 4.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -71.06 114.51 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.524 HE21 HG13 ' A' ' 70' ' ' VAL . 1.2 tt0 -77.83 97.75 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 17.5 mt -100.12 159.8 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 67' ' ' THR . 1.4 ttm180 -135.77 116.81 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASP . 69.8 t60 -96.99 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 71.13 -112.32 4.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -105.44 14.11 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -122.79 135.33 54.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.99 165.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 97' ' ' VAL . 2.7 mtt-85 -158.96 -178.34 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.7 t -153.81 103.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 50' ' ' ILE . 83.6 m-85 -108.08 -172.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 16.0 mmt-85 -116.13 161.33 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.7 mp -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 pt-20 -50.4 -38.97 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.3 m-30 -78.09 -30.57 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 30' ' ' LEU . 9.9 t -59.71 96.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -147.25 64.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -130.71 161.72 31.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.16 127.87 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -50.87 105.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.6 p -54.51 147.08 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -52.8 -25.45 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . 16.8 m -78.01 -65.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -38.93 -56.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.3 t80 -46.45 -52.89 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.16 -41.18 81.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -60.2 -46.19 90.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.493 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -66.77 -44.08 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 107.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -42.28 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -45.89 -51.35 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB1' ' HA3' ' A' ' 92' ' ' GLY . . . -54.56 -39.35 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.69 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.9 mmm -73.4 -39.87 64.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.14 -28.84 63.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.6 t -76.51 -44.46 35.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.536 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -78.0 -11.93 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.01 11.52 85.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.536 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 11.7 mtp -72.55 167.08 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.436 ' O ' ' CE ' ' A' ' 120' ' ' MET . 7.7 mt-30 -108.22 151.55 25.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.928 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.95 -174.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.0 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.1 p -80.17 139.34 36.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -42.35 -30.27 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.64 -50.33 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -63.19 -43.94 96.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.657 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.5 mm -51.21 -53.83 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.71 -62.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -44.24 -54.38 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.0 tppt? -56.46 -59.63 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.539 ' HA ' HD13 ' A' ' 140' ' ' ILE . 6.8 tp10 -44.2 -54.8 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.9 OUTLIER -45.37 -27.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -75.54 -39.96 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.1 mp -60.21 -45.72 95.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.19 -63.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.248 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.682 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.665 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.4 m 18.42 91.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.402 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -56.4 -33.03 65.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -133.01 171.72 8.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.574 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.96 -20.51 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.05 -51.81 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.663 ' CD ' HD12 ' A' ' 130' ' ' LEU . 26.9 mm-40 -50.27 -41.0 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD11 ' CG ' ' A' ' 47' ' ' PHE . 7.0 tp -68.41 -25.12 64.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.9 -19.64 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -74.5 -33.71 62.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 133' ' ' ILE . 5.0 m -106.13 9.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 106' ' ' GLN . 40.8 ttp85 -73.92 92.01 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.009 HD13 HD21 ' A' ' 30' ' ' LEU . 4.7 mt -44.47 152.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -120.2 130.82 54.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.973 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -37.56 -50.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.2 m-70 -51.4 -57.96 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 mtmt -52.05 -43.83 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.009 HD21 HD13 ' A' ' 25' ' ' LEU . 60.1 mt -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -26.14 65.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -88.85 -50.63 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.959 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.5 m0 -68.05 -15.82 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.39 -17.45 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.301 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 34.9 t60 -109.59 4.75 22.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 18.3 mmm -97.71 160.04 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -83.79 45.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' VAL . 50.9 t80 -77.55 -69.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.52 -21.23 65.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -34.87 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' VAL . 87.1 m -89.68 -68.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 25' ' ' LEU . 15.5 m -35.94 -36.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.2 m -66.67 108.12 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.41 -19.89 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 140' ' ' ILE . 58.6 m -89.79 164.98 14.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.593 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 26.7 m-85 -110.88 144.79 39.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 66' ' ' ILE . 20.9 m -132.32 145.07 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -90.92 121.82 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.5 tp -100.58 141.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.84 81.08 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.896 HD11 HG12 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.896 HG12 HD11 ' A' ' 52' ' ' ILE . 1.4 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -131.35 158.9 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.742 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -141.37 129.03 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 46.6 t -78.79 144.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -154.56 162.5 41.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.7 tt0 -121.01 130.59 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 48' ' ' VAL . 34.2 mt -66.9 113.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.5 p -99.21 4.02 46.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.16 -173.93 33.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 68.9 t -131.51 123.15 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 86' ' ' GLY . 23.1 m -98.46 -179.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -131.74 117.57 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.3 p -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.61 -32.01 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -97.54 146.54 25.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.853 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.7 t -108.58 146.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 20.0 p90 -137.0 158.3 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -69.98 152.19 44.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 81' ' ' THR . 14.4 tp -153.46 86.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.7 20.76 70.5 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.07 -39.14 2.75 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.15 146.45 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HD3' HG12 ' A' ' 75' ' ' VAL . 4.6 mtt85 -103.25 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.8 t -113.02 168.22 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.853 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.5 p-10 -140.53 16.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -93.87 128.89 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.775 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.65 117.6 5.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.6 mt -65.45 118.03 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.48 96.18 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.549 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.1 mt -104.94 130.38 53.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.515 ' HB3' HG21 ' A' ' 67' ' ' THR . 10.2 ptt180 -110.31 162.73 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 119' ' ' ALA . 78.4 t60 -143.06 124.19 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.438 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 56.58 -96.0 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.17 18.81 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.61 153.2 37.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.72 129.23 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' LEU . 3.6 ttt180 -119.67 -177.43 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -149.26 130.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.544 ' CD2' HG12 ' A' ' 50' ' ' ILE . 90.2 m-85 -131.82 -171.98 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 96.9 mtt180 -120.46 160.01 23.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -67.58 -28.54 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -64.63 -29.96 70.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.6 m-30 -86.93 -25.56 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 87' ' ' LEU . 53.8 t -63.78 141.58 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -110.47 176.1 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -134.21 64.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.6 mp0 -116.63 177.92 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.54 113.36 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -40.89 134.74 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -105.48 147.64 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -40.75 -56.13 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.2 m -41.85 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -43.53 -62.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.5 t80 -39.51 -51.13 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.9 mmt -71.26 -35.27 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -64.96 -47.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 127' ' ' LEU . 2.5 t90 -65.67 -45.85 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.18 -48.42 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -39.81 -52.47 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.514 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . . . -53.41 -44.55 68.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.789 ' HE2' HD23 ' A' ' 127' ' ' LEU . 29.9 mmm -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.88 -36.75 80.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -39.86 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.04 -2.31 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.66 29.9 64.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.0 -172.61 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 120' ' ' MET . 81.0 mt-30 -126.43 152.51 46.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.8 -173.74 0.37 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.08 121.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -68.83 138.61 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.682 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.5 mm? -38.34 -36.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -63.45 -60.14 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -40.35 51.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' CG1' ' A' ' 14' ' ' VAL . 3.1 mm -55.81 -60.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.18 -57.7 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -47.31 -52.05 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.2 tppt? -62.16 -55.68 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -38.49 -61.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 138' ' ' LEU . 3.4 mm? -44.16 -49.33 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -45.22 41.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.815 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.74 -57.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -60.81 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.952 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.936 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.01 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 24.62 88.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -56.18 -31.72 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.543 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.56 172.87 6.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -75.01 -11.79 21.47 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -67.81 -51.44 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 69.6 mm-40 -51.51 -36.65 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.6 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.4 tp -73.32 -18.25 61.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -88.13 -18.28 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -71.69 -34.16 69.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 133' ' ' ILE . 3.7 m -101.94 10.44 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 57.2 ttp85 -75.95 120.33 21.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 43' ' ' VAL . 28.3 mt -75.8 -178.54 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -147.68 132.65 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 78' ' ' LEU . 4.0 ttp-105 -34.32 -44.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.0 -63.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -46.07 -44.38 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 39.4 mt -64.27 -45.44 88.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.524 ' OE1' HG21 ' A' ' 81' ' ' THR . 0.5 OUTLIER -59.95 -20.91 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -96.49 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.688 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.7 m0 -67.34 -16.13 64.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 t -68.21 -17.57 64.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 8.2 p80 -114.75 20.26 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.558 ' SD ' ' CE1' ' A' ' 35' ' ' HIS . 22.6 mmm -135.17 164.13 46.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 40.2 p90 43.93 21.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 43' ' ' VAL . 72.3 t80 -67.18 -69.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -61.9 -23.0 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -77.06 -36.77 55.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' THR . 49.4 m -83.1 -70.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.861 ' HA ' HD11 ' A' ' 25' ' ' LEU . 12.8 m -36.75 -33.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.8 m -67.31 113.47 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.97 -2.31 22.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 140' ' ' ILE . 74.2 m -97.0 -171.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 33.0 m-85 -139.51 130.45 26.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 29.1 m -126.82 153.46 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mtp180 -89.98 118.01 29.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.73 149.8 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.25 113.0 4.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.719 HG21 ' HG3' ' A' ' 62' ' ' ARG . 2.4 pt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG12 ' CG1' ' A' ' 52' ' ' ILE . 2.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -125.25 146.31 49.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.719 ' HG3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.98 127.8 29.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 48.7 t -57.58 138.09 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.08 135.96 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.83 134.96 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.1 mt -72.7 123.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.9 p -110.53 -5.43 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.96 -174.51 37.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 78.6 t -133.8 119.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 86' ' ' GLY . 28.5 m -98.16 176.45 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -121.59 152.61 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -127.78 176.76 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.54 -30.25 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -91.73 146.77 23.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.909 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.1 t -114.49 147.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 27.7 p90 -136.34 156.17 49.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.75 154.17 42.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -154.43 91.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.38 13.59 50.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.87 -41.28 1.68 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.524 HG21 ' OE1' ' A' ' 31' ' ' GLU . 13.8 t -84.34 145.11 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.536 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -104.37 113.2 26.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -113.82 167.18 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.909 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.6 p-10 -140.94 45.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -116.3 118.52 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.21 115.22 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 103' ' ' VAL . 4.9 mt -69.83 113.03 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.506 HE21 HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.38 98.59 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.803 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.5 mt -104.84 148.35 26.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.4 OUTLIER -129.71 119.57 23.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -109.73 99.38 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.89 -130.69 10.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -94.69 18.4 11.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.4 147.47 49.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -108.61 153.98 22.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.9 mtt180 -143.96 175.52 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.3 t -148.79 107.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 92.4 m-85 -115.25 -168.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 40.5 mtt180 -119.8 163.88 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.99 -34.79 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.8 pt-20 -59.02 -39.04 80.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -80.04 -6.61 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 87' ' ' LEU . 7.7 t -89.02 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -103.08 114.69 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -39.18 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 52.69 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.29 119.17 20.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 9.3 m-85 -44.53 136.12 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 112' ' ' GLU . 10.5 t -107.44 137.29 45.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -38.2 -47.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -47.19 -67.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 109' ' ' THR . 48.9 mt-10 -56.06 -55.28 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.9 t80 -39.59 -40.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.75 -36.97 42.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' GLU . 10.3 mmtp -61.59 -46.82 88.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.433 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.7 t90 -65.46 -44.71 86.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.8 OUTLIER -47.92 -44.68 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.18 -50.46 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.2 -38.13 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 127' ' ' LEU . 22.9 mmm -74.47 -38.41 62.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.19 -28.49 64.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.5 t -81.83 -45.86 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -72.82 -12.4 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.0 81.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 15.8 mtp -77.38 170.06 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 48.5 mt-30 -112.1 152.2 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -93.29 -177.45 0.7 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.1 Cg_endo -75.04 130.03 12.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.37 139.7 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.374 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.76 -32.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -52.08 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.8 mm-40 -61.07 -43.17 99.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.545 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -57.54 -45.32 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.06 -63.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -48.94 -39.88 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.5 tppt? -69.41 -52.5 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.9 tt0 -46.64 -61.43 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.0 mm? -44.37 -46.79 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -44.11 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.688 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.72 -53.27 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.3 mppp? -48.17 -63.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.924 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.938 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.93 104.35 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.0 OUTLIER 22.69 89.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -30.92 61.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 172.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.95 -23.9 13.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -53.72 -56.14 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 50.4 mm-40 -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 47' ' ' PHE . 7.5 tp -65.02 -27.84 69.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -76.58 -26.59 55.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -67.09 -25.38 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 133' ' ' ILE . 16.6 m -118.84 14.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 41.7 ttp85 -83.9 90.86 7.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.112 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 5.8 mt -48.54 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 35.9 p -129.0 136.12 49.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 8.0 ttp-105 -36.4 -41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -53.67 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -50.89 -45.92 60.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 25' ' ' LEU . 55.0 mt -57.52 -50.26 73.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -21.37 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.54 -48.94 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 1.112 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 11.6 m0 -67.72 -15.99 63.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 107.978 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t -66.91 -14.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 108.254 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -112.05 9.81 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 40.5 mmm -108.36 160.39 27.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.06 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -79.12 49.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.782 ' O ' HG22 ' A' ' 43' ' ' VAL . 76.1 t80 -86.54 -69.1 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -53.9 -45.93 71.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -49.32 74.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.8 m -69.06 -72.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 39' ' ' PHE . 25.0 m -35.36 -37.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.1 m -62.2 105.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.97 -26.81 7.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 140' ' ' ILE . 66.5 m -75.37 166.42 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 16.0 m-85 -118.15 150.26 39.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.518 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.3 m -142.48 154.99 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -96.98 124.34 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -100.53 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -111.06 74.26 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.917 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.917 HG12 HD11 ' A' ' 52' ' ' ILE . 3.7 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.406 ' N ' HD11 ' A' ' 52' ' ' ILE . 35.9 m-85 -150.92 165.12 34.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.608 ' O ' HG22 ' A' ' 50' ' ' ILE . 40.3 mtp85 -151.42 140.25 20.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.78 HG13 ' CE1' ' A' ' 108' ' ' PHE . 46.6 t -87.09 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.04 157.14 44.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.84 133.14 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 43' ' ' VAL . 35.4 mt -69.57 127.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.613 HG21 ' HB2' ' A' ' 90' ' ' ARG . 10.5 p -115.18 6.89 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.27 179.37 26.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 77.5 t -125.59 121.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 86' ' ' GLY . 22.8 m -98.65 -178.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.5 pt-20 -132.7 121.65 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p -94.73 175.8 6.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.41 -32.82 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -94.16 151.27 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 84' ' ' ASN . 30.5 t -116.62 150.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.1 p90 -134.61 163.46 29.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.03 144.56 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' THR . 57.4 tp -136.58 67.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.19 71.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.01 -49.23 0.89 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.9 t -83.38 142.34 31.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -104.15 113.64 27.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' CE1' ' A' ' 76' ' ' TYR . 15.3 t -111.81 168.75 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.847 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.8 p-10 -139.31 16.27 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HE3' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mtpp -89.19 114.74 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.61 113.71 3.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -67.49 114.73 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.592 HE21 HG13 ' A' ' 70' ' ' VAL . 1.3 tt0 -77.23 95.74 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.4 mt -99.94 142.87 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.613 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.6 ttm-85 -117.32 130.98 56.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -117.64 102.32 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 65.33 -129.9 34.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.73 15.93 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 143.24 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.86 158.87 15.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' VAL . 9.5 mtt180 -147.27 179.28 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ARG . 44.1 t -154.13 107.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 50' ' ' ILE . 88.4 m-85 -112.13 -171.06 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 83.4 mtt180 -119.89 159.19 25.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.4 -36.73 76.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 11.6 pt-20 -57.39 -32.13 66.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 16.1 m-30 -90.32 -13.71 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.645 HG21 HD12 ' A' ' 87' ' ' LEU . 4.3 t -74.4 99.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -53.01 160.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -123.89 36.74 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.496 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 mp0 -111.88 166.22 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.6 140.72 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.78 ' CE1' HG13 ' A' ' 63' ' ' VAL . 10.6 m-85 -58.05 122.87 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 p -77.78 175.73 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.46 -23.98 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 20.0 m -79.0 -70.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 10.4 mm-40 -37.78 -62.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 28.4 t80 -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.5 mmt -76.19 -41.91 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -59.5 -44.18 93.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.9 t90 -66.69 -47.91 70.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.45 -47.93 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.88 -51.03 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.88 -45.66 71.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.691 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.8 mmm -66.3 -41.04 90.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -68.87 -35.84 77.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -72.54 -38.24 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.57 9.38 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 47.88 39.12 17.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.67 -171.53 2.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.42 ' O ' ' CE ' ' A' ' 120' ' ' MET . 37.5 mt-30 -127.77 142.96 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -88.76 -179.33 1.25 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 130.67 13.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -79.89 140.2 36.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.59 -31.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 6.9 t0 -66.88 -56.42 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -56.07 -29.19 60.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.625 HD13 HG21 ' A' ' 23' ' ' VAL . 2.4 mm -69.52 -53.44 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.08 -53.89 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -52.61 -41.85 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.7 tppt? -70.94 -51.85 23.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.34 -59.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -46.06 -48.64 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -43.41 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.862 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.4 mp -63.87 -53.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -51.14 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.967 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.3 tt0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.917 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 151.48 39.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -37.14 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.434 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -85.6 -2.87 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.678 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.35 161.36 41.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.07 20.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.2 mt-10 -68.87 -69.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.678 ' H ' HD13 ' A' ' 16' ' ' LEU . 51.5 mm-40 -42.03 -50.06 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 20' ' ' LEU . 16.6 tp -61.8 -38.92 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -61.43 -26.5 67.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 49.5 mtp180 -63.43 -48.16 78.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 133' ' ' ILE . 32.9 m -89.41 24.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -82.82 92.34 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.906 HD11 ' HA ' ' A' ' 43' ' ' VAL . 12.6 mt -51.42 163.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 p -136.73 134.73 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -39.33 -48.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -45.7 -62.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -50.57 -56.99 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 25' ' ' LEU . 68.7 mt -48.77 -45.58 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -23.12 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.4 mtt180 -97.44 -49.36 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.555 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.9 m0 -66.93 -18.29 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.31 -16.41 60.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p-80 -111.19 5.31 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.462 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 39.4 mmm -100.09 160.74 26.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -79.67 48.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.499 ' O ' HG22 ' A' ' 43' ' ' VAL . 71.7 t80 -82.83 -74.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.86 -46.01 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.56 -52.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 94.3 m -65.42 -72.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.906 ' HA ' HD11 ' A' ' 25' ' ' LEU . 11.4 m -35.96 -35.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.4 m -66.1 111.92 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.23 9.95 16.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.428 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 9.3 m -119.11 -179.39 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.1 m-85 -130.55 138.3 50.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 25' ' ' LEU . 34.4 m -121.24 152.35 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' NH1' ' OE2' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -90.25 104.89 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.58 HG12 ' CD2' ' A' ' 98' ' ' PHE . 3.1 tp -100.66 149.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.64 104.1 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.045 HG22 HD11 ' A' ' 52' ' ' ILE . 8.0 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -152.06 144.84 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.7 mmp_? -130.08 126.74 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 128.74 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -128.66 162.37 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.9 tt0 -120.77 131.6 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 25' ' ' LEU . 10.4 mt -73.62 120.34 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -106.67 -5.79 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.11 -169.28 37.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 ' HD2' ' A' ' 85' ' ' LYS . 60.4 t -135.45 132.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.0 m -107.44 -176.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 128.03 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.6 p -100.24 -177.13 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.11 -30.09 8.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 149.97 22.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.4 t -114.69 143.82 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 11.0 p90 -134.17 168.02 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -82.34 144.76 30.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' THR . 39.8 tp -133.64 62.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.25 86.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.83 -61.45 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.9 t -82.9 148.57 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -112.92 114.27 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 76' ' ' TYR . 14.9 t -113.91 146.09 40.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.761 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.3 p-10 -111.36 35.32 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.541 ' HD2' HG11 ' A' ' 69' ' ' VAL . 8.7 mtmm -102.82 157.14 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.76 125.49 5.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.838 HD12 HG21 ' A' ' 103' ' ' VAL . 9.3 mt -78.99 112.76 16.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.41 96.44 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.3 mt -101.24 158.47 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 67' ' ' THR . 6.8 ttm-85 -135.68 125.88 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -115.48 102.52 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.425 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 69.45 -119.33 9.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -104.23 19.56 19.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.05 135.05 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -94.42 160.79 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mtt-85 -148.12 178.81 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 96' ' ' ARG . 38.9 t -152.86 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 50' ' ' ILE . 89.4 m-85 -108.1 -170.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.555 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 84.5 mtt85 -120.09 165.39 14.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.9 mp -66.19 -37.54 85.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -52.25 -40.99 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.7 m-85 -80.52 -27.37 37.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.838 HG21 HD12 ' A' ' 87' ' ' LEU . 7.0 t -59.39 99.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -73.37 163.13 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -125.8 84.11 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.13 166.77 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.1 139.42 38.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -65.61 124.96 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 p -74.38 150.29 40.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.61 -26.64 56.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' NZ ' ' A' ' 115' ' ' LYS . 6.4 t -79.37 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 113' ' ' PHE . 5.6 pt-20 -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CZ ' ' C ' ' A' ' 16' ' ' LEU . 26.9 t80 -55.53 -35.08 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.16 -43.64 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 12.9 mptt -54.3 -39.61 67.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -68.87 -47.04 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.42 -43.52 34.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.29 -48.35 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.82 83.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.522 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.1 mmm -65.33 -40.07 93.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -68.98 -39.21 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -69.27 -38.86 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.71 -0.57 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.18 32.1 66.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -90.57 -173.67 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.443 ' O ' ' HE1' ' A' ' 120' ' ' MET . 14.8 mt-30 -125.25 147.0 49.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.917 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -94.22 -175.19 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.2 p -81.57 138.75 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.967 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.1 mm? -40.4 -42.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -49.65 67.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.7 OUTLIER -65.21 -45.84 83.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 14' ' ' VAL . 2.0 mm -50.26 -59.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.78 -64.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -42.66 -57.33 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.8 tppt? -51.93 -61.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 5.7 tp10 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.6 OUTLIER -44.91 -31.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -70.23 -40.8 74.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.555 HG23 ' CH2' ' A' ' 33' ' ' TRP . 1.8 mp -59.16 -46.71 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -60.08 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.369 179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.822 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.888 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 15.3 m 21.99 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -20.17 66.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 ' CD ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -142.47 171.54 7.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.0 -10.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 16' ' ' LEU . 2.9 mt-10 -67.02 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.767 ' CD ' HD12 ' A' ' 16' ' ' LEU . 1.3 mt-10 -41.0 -49.21 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 47' ' ' PHE . 9.5 tp -62.35 -41.21 98.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 m-20 -58.32 -22.42 53.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -71.3 -33.58 69.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 5.6 m -110.17 14.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' NH2' ' CG ' ' A' ' 107' ' ' GLU . 6.5 tmm_? -77.27 95.34 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 43' ' ' VAL . 10.9 mt -56.01 156.15 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.1 p -123.55 138.02 54.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.6 ttp180 -37.4 -56.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -46.07 -67.13 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 20.5 mttp -41.67 -48.12 4.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 34' ' ' CYS . 21.0 mt -59.7 -65.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.7 OUTLIER -36.08 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 mtt85 -81.03 -51.63 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.632 ' HH2' HG23 ' A' ' 140' ' ' ILE . 9.8 m0 -67.76 -17.37 64.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.88 -11.7 40.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -113.93 7.83 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.5 mmm -104.46 160.43 26.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -81.51 46.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.762 ' CE1' HG11 ' A' ' 43' ' ' VAL . 11.0 t80 -82.29 -71.92 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.44 -53.88 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -57.26 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' VAL . 99.4 m -57.84 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.762 HG11 ' CE1' ' A' ' 39' ' ' PHE . 12.9 m -39.12 -45.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.538 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.9 m -52.12 105.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.09 -15.45 8.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.79 ' SG ' HD11 ' A' ' 140' ' ' ILE . 88.8 m -90.03 174.45 7.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 20' ' ' LEU . 37.1 m-85 -120.16 144.09 47.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.406 HG11 HD11 ' A' ' 66' ' ' ILE . 33.5 m -135.66 145.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 5.2 ttp85 -89.04 112.65 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.85 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -99.87 149.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.75 106.37 1.21 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.054 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 52' ' ' ILE . 11.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' NH1' ' A' ' 49' ' ' ARG . 29.2 m-85 -152.83 144.81 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.85 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.5 mmp_? -129.01 127.18 41.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 108' ' ' PHE . 54.9 t -78.59 131.47 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -134.84 166.34 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.53 128.77 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.547 HD13 ' HB ' ' A' ' 43' ' ' VAL . 40.1 mt -64.76 112.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.6 p -97.9 2.59 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 -176.49 32.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.687 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 70.5 t -130.26 120.08 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.73 169.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.96 142.7 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.0 p -114.33 173.79 6.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.02 -32.74 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -96.86 141.96 29.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.932 HG22 ' HB3' ' A' ' 84' ' ' ASN . 40.8 t -106.94 148.95 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 34.2 p90 -136.17 156.0 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.56 150.69 46.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.574 ' CD2' HD22 ' A' ' 100' ' ' LEU . 9.2 tp -154.39 91.96 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.55 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.48 -39.97 2.59 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 78' ' ' LEU . 5.1 t -83.94 146.74 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -106.36 112.27 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 t -113.31 166.35 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.932 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.4 p-10 -140.46 40.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -114.01 117.55 31.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.514 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.82 120.06 5.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 103' ' ' VAL . 6.4 mt -71.25 114.48 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.373 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.5 97.15 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.54 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 mt -103.54 158.85 16.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.437 ' HB2' HG21 ' A' ' 67' ' ' THR . 13.0 ttm180 -140.22 125.14 18.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -110.22 130.37 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.41 -108.92 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -119.49 22.44 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.46 150.39 47.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 153.02 20.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 6.6 mtt-85 -144.96 176.93 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -151.44 108.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CD2' HG12 ' A' ' 50' ' ' ILE . 82.8 m-85 -113.41 -171.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.488 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 34.5 mtt-85 -116.9 174.58 6.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 34' ' ' CYS . 7.1 mp -71.27 -33.01 69.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 13.3 pt-20 -60.23 -39.91 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -76.98 -19.96 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 87' ' ' LEU . 7.6 t -72.34 103.51 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.4 173.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -119.25 -40.05 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -44.11 166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 8.9 mt-10 -81.62 167.42 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 63' ' ' VAL . 4.8 m-85 -75.07 133.24 41.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 112' ' ' GLU . 5.7 t -101.38 146.72 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' SER . 39.6 tt0 -47.48 -55.15 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' GLU . 51.0 m -39.54 -72.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 0.4 OUTLIER -49.38 -59.5 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 34.4 t80 -38.54 -37.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mmt -81.6 -44.5 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.8 mptt -54.99 -42.39 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -67.5 -49.9 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -43.76 -48.73 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -42.04 -51.14 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.31 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.87 ' HE2' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.81 -39.81 83.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -69.44 -37.9 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -72.56 -38.76 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.94 -1.14 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.88 37.57 85.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.58 -174.79 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.516 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.1 mt-30 -124.33 148.44 47.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.888 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.7 -176.41 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.7 p -85.86 139.14 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -43.87 -28.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.4 -48.52 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.5 mt-10 -68.6 -48.86 63.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -46.12 -55.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.14 -56.44 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.236 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -51.39 24.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.6 tppt? -61.66 -56.18 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 136' ' ' LYS . 32.2 tt0 -37.66 -61.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.9 mm? -43.9 -50.33 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -41.0 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.79 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.1 mp -69.08 -44.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.6 OUTLIER -55.46 -62.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 130' ' ' LEU . 4.1 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.97 156.39 43.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -39.85 97.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -67.61 -26.88 66.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.071 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -135.17 170.11 12.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.94 -7.38 19.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.2 mt-10 -65.02 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.5 mt-10 -44.7 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.655 HD11 ' CG ' ' A' ' 47' ' ' PHE . 8.3 tp -63.06 -36.4 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.8 m-20 -63.46 -26.85 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 19.6 mtp85 -66.76 -51.91 50.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 133' ' ' ILE . 25.4 m -89.37 16.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 31.6 ttp85 -80.37 88.18 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 30' ' ' LEU . 7.9 mt -46.65 165.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ARG . 60.5 p -135.75 137.51 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' SER . 12.8 ttp180 -36.32 -58.04 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -46.56 -64.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -42.7 -49.47 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 25' ' ' LEU . 37.2 mt -58.94 -54.41 47.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.53 -28.84 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -85.61 -50.56 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 13.8 m0 -67.24 -14.67 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.57 -17.41 64.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.293 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.8 p80 -108.15 12.45 26.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.498 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 50.9 mmm -111.17 159.22 33.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -77.21 50.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 43' ' ' VAL . 74.2 t80 -85.1 -74.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -47.52 -46.3 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -54.69 25.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 43' ' ' VAL . 25.2 m -65.13 -73.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.741 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.9 m -34.72 -37.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -64.24 106.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.23 -15.27 8.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 m -88.92 172.64 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 20' ' ' LEU . 24.0 m-85 -123.36 146.74 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 28.8 m -138.97 151.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 105' ' ' ASN . 1.0 OUTLIER -93.78 112.28 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 98' ' ' PHE . 5.7 tp -100.03 149.98 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.03 104.64 1.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.084 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.084 HG22 HD11 ' A' ' 52' ' ' ILE . 9.2 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -153.39 150.5 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.0 mmp_? -132.24 127.42 35.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 112' ' ' GLU . 79.3 t -76.2 125.3 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -130.73 165.57 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 10.3 tt0 -123.59 128.19 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 43' ' ' VAL . 31.2 mt -63.55 112.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.568 HG21 ' HB2' ' A' ' 90' ' ' ARG . 7.6 p -96.78 -0.2 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.75 -167.85 35.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 69.8 t -138.61 123.95 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.4 m -100.39 -176.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.9 pt-20 -135.4 122.96 22.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 p -95.88 172.22 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.51 -35.49 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -95.61 150.5 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 84' ' ' ASN . 42.2 t -111.72 146.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.655 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 18.1 p90 -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.5 145.31 50.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 27' ' ' ARG . 19.7 tp -146.81 82.25 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.04 15.29 79.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.73 -34.26 4.44 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -84.47 148.26 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.698 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.1 112.4 25.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.655 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -113.91 166.47 11.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.962 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.8 p-10 -147.47 44.87 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -117.09 98.65 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -68.58 112.67 4.78 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.801 HD12 HG21 ' A' ' 103' ' ' VAL . 7.6 mt -66.65 110.62 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.87 95.54 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.0 mt -101.05 154.95 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.568 ' HB2' HG21 ' A' ' 67' ' ' THR . 5.7 ttp180 -128.86 123.18 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 62' ' ' ARG . 44.8 t60 -111.74 100.34 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.29 -127.46 12.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.32 21.49 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.72 144.18 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.14 154.76 18.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.482 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 mtt-85 -141.19 169.7 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.2 t -142.67 101.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 50' ' ' ILE . 95.8 m-85 -109.36 -173.19 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 21.0 mtt180 -117.89 165.65 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.78 -34.69 78.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 14.4 pt-20 -58.32 -35.63 72.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.3 m-30 -84.05 -25.78 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.801 HG21 HD12 ' A' ' 87' ' ' LEU . 4.5 t -60.7 94.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.16 159.51 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.445 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 8.9 p30 -110.71 -163.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 13.6 tt0 74.51 167.09 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 12.7 pt-20 -73.3 149.04 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 6.9 m-85 -59.64 159.36 8.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -102.25 145.56 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -56.6 -26.74 56.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -75.22 -69.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.502 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -42.37 -55.49 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.6 t80 -41.64 -66.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.2 mmt -58.21 -39.45 79.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -59.86 -39.09 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.472 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -70.29 -44.98 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 107.963 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.82 -47.35 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.25 -52.05 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.13 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.909 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.7 mmm -65.72 -39.66 91.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.77 -37.85 73.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -37.97 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.37 10.41 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 46.64 41.71 13.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -98.19 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.566 ' O ' ' HE1' ' A' ' 120' ' ' MET . 72.8 mt-30 -124.64 147.06 48.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.88 -174.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.95 127.47 10.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -71.17 135.11 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.622 HD22 ' CD ' ' A' ' 19' ' ' GLU . 38.8 mt -42.07 -41.28 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -47.75 78.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -63.06 -45.47 92.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.7 mm -48.99 -57.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.06 -64.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -42.28 -59.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.9 tppt? -49.53 -60.13 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.6 tp10 -41.96 -56.89 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.3 mm? -42.53 -33.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -69.84 -44.3 70.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.935 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -56.4 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.87 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.952 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.8 m 24.91 89.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -34.56 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -134.96 174.36 4.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -19.49 17.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.7 mt-10 -61.37 -49.23 77.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.675 ' CD ' HD12 ' A' ' 130' ' ' LEU . 35.6 mm-40 -50.14 -42.08 50.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.9 tp -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 2.6 m-20 -78.04 -28.56 49.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 24.2 mtp85 -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 133' ' ' ILE . 18.9 m -100.41 29.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 40.3 ttp85 -89.41 89.86 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 30' ' ' LEU . 9.0 mt -44.02 155.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -122.88 130.51 52.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.053 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -37.86 -44.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -56.74 -62.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -46.37 -49.87 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 25' ' ' LEU . 22.3 mt -56.81 -55.37 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.0 mtt180 -93.19 -50.54 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.567 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.2 m0 -68.69 -9.37 49.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -58.53 -16.43 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.53 -19.89 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.413 ' SD ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 mmt -53.88 154.93 6.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 36' ' ' MET . 18.2 Cg_endo -75.01 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.5 p90 -82.19 12.82 3.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 43' ' ' VAL . 35.7 t80 -35.12 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.16 -45.35 43.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -51.86 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' THR . 5.8 m -66.59 -72.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.854 ' HA ' HD11 ' A' ' 25' ' ' LEU . 10.4 m -36.58 -33.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -68.62 106.57 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.75 6.64 11.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.465 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 19.2 m -112.13 170.19 8.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.9 m-85 -118.95 141.8 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.8 m -134.22 147.32 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 61' ' ' TYR . 1.6 tpt85 -86.92 114.84 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 62' ' ' ARG . 7.4 tp -101.22 146.07 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.15 107.54 2.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 52' ' ' ILE . 7.4 p . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.419 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 37.8 m-85 -148.46 144.75 27.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.681 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.9 mmt-85 -123.04 141.28 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.522 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 84.6 t -83.91 143.67 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -149.6 154.74 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -115.79 125.34 52.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.472 HD12 HD12 ' A' ' 25' ' ' LEU . 3.6 mt -63.22 115.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -104.95 1.22 28.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.76 -174.84 33.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.77 123.36 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.482 HG21 HG11 ' A' ' 97' ' ' VAL . 26.1 m -99.01 170.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 146.02 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.1 p -121.49 175.0 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.71 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -92.97 146.74 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.868 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.4 t -115.3 149.86 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 23.7 p90 -140.14 160.85 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -74.8 150.44 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 17.2 tp -149.15 79.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.09 22.88 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.152 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.76 -41.63 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.0 t -84.67 142.89 29.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.7 mtt180 -104.18 113.79 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.507 HG22 ' CE1' ' A' ' 76' ' ' TYR . 9.5 t -112.14 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.868 ' HB3' HG22 ' A' ' 75' ' ' VAL . 3.9 p-10 -140.82 17.9 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -97.16 115.74 28.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.27 124.51 6.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 103' ' ' VAL . 6.3 mt -71.02 114.8 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.15 96.27 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.6 mt -103.89 143.29 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -124.68 116.73 22.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -101.51 91.3 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.568 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 74.63 -129.8 11.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.586 HD22 ' HB1' ' A' ' 123' ' ' ALA . 0.7 OUTLIER -88.19 11.86 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.09 137.23 54.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.01 155.18 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 16.0 mtt180 -148.87 -179.71 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 96' ' ' ARG . 78.5 t -156.7 105.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.9 m-85 -107.97 173.99 6.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 11.3 mtp180 -99.29 154.46 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 4.8 mp -59.23 -20.11 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.4 pt-20 -74.22 -24.82 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.9 m-30 -89.61 -15.39 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 87' ' ' LEU . 78.0 t -68.08 117.89 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 175.48 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 56.4 t30 -116.78 -38.2 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 105' ' ' ASN . 1.1 mt-30 -38.93 159.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 9.7 pt-20 -91.73 163.01 14.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -74.67 150.78 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.55 HG22 ' CG ' ' A' ' 112' ' ' GLU . 11.8 t -122.01 160.58 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.04 -32.93 64.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -75.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.55 ' CG ' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -47.97 -40.65 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.2 t80 -55.61 -45.1 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.9 mmt -76.79 -34.25 57.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -65.32 -45.92 82.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.1 t90 -67.3 -43.43 81.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.77 -45.0 39.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.45 -50.48 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.89 71.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.4 mmm -64.25 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.56 -38.51 77.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -36.77 73.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 93' ' ' ASN . . . -84.07 0.59 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.99 32.11 66.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.462 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.74 -173.5 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 120' ' ' MET . 8.2 pt20 -127.23 143.53 51.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -89.09 -177.21 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 132.51 15.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 2.9 p -81.08 139.61 35.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.87 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.1 mm? -38.49 -42.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -59.11 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -47.01 62.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.64 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.6 mm -51.74 -50.71 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.64 -59.34 3.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.8 -52.81 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.2 tppt? -58.53 -60.57 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 tp10 -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.8 mm? -42.01 -39.86 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.9 OUTLIER -61.37 -43.68 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -59.8 -49.97 81.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -50.8 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.953 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.916 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.02 154.81 42.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.766 HG22 ' HD2' ' A' ' 128' ' ' PRO . 9.4 m -36.9 97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -67.36 -27.28 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.622 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -132.18 169.65 13.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.95 -15.63 20.75 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 9.3 mt-10 -59.3 -62.05 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 70.3 mm-40 -45.43 -47.53 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.4 tp -60.86 -36.72 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.6 m-20 -65.97 -20.48 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 30.4 mtp180 -74.95 -22.35 58.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 133' ' ' ILE . 33.8 m -119.72 17.26 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -86.5 103.32 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.95 HD11 ' HA ' ' A' ' 43' ' ' VAL . 17.3 mt -59.81 176.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.4 p -146.87 140.46 25.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 5.7 ttp85 -36.78 -54.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 32' ' ' ARG . 20.0 m-70 -50.77 -61.23 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -48.19 -44.79 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.786 ' CD1' HG11 ' A' ' 103' ' ' VAL . 40.1 mt -64.54 -42.46 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -24.77 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 3.0 mtt85 -91.82 -50.27 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.545 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.1 m0 -67.37 -18.98 65.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.38 -17.02 64.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.281 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 3.9 p-80 -106.94 10.47 30.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -109.97 159.9 30.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -82.82 46.28 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.56 ' O ' HG22 ' A' ' 43' ' ' VAL . 59.8 t80 -81.38 -73.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.91 -47.5 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -52.08 59.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 48.3 m -64.54 -72.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.95 ' HA ' HD11 ' A' ' 25' ' ' LEU . 17.3 m -37.25 -42.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.9 m -57.87 113.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.36 -1.67 26.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' ' 140' ' ' ILE . 85.3 m -105.24 -175.08 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 12.8 m-85 -132.27 145.97 51.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 25' ' ' LEU . 27.3 m -132.85 145.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.51 110.78 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.3 tp -100.02 153.06 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.94 91.92 0.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.963 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 52' ' ' ILE . 2.5 t . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.43 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 26.7 m-85 -141.58 149.8 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.628 ' CG ' HD12 ' A' ' 52' ' ' ILE . 8.6 mmp_? -139.72 159.86 41.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 112' ' ' GLU . 55.5 t -102.19 126.82 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -129.38 154.37 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 24.3 tt0 -111.43 140.73 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 8.9 mt -76.08 129.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.516 HG21 ' HB2' ' A' ' 90' ' ' ARG . 2.8 p -113.64 -8.96 13.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.46 -165.76 36.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -138.31 124.34 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.7 m -98.89 179.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.2 pt-20 -133.36 117.5 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -87.5 174.47 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 -32.62 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -94.96 151.27 19.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.862 HG22 ' HB3' ' A' ' 84' ' ' ASN . 12.1 t -110.22 148.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 34.1 p90 -135.89 160.02 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 46.6 tt0 -76.41 149.27 36.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.6 tp -148.41 90.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.78 59.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.73 -40.08 1.86 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 6.1 t -83.87 145.15 28.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.433 ' CD ' HG12 ' A' ' 75' ' ' VAL . 1.1 mtt180 -100.6 113.03 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.488 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 14.7 t -113.4 165.85 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.862 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.1 p-10 -138.89 43.05 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -119.91 122.47 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.723 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.71 113.24 4.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.646 ' C ' HG23 ' A' ' 97' ' ' VAL . 5.7 mt -69.49 112.83 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 1.8 tt0 -76.17 112.52 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.6 mt -115.8 137.32 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.516 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.6 OUTLIER -120.37 116.36 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.97 119.55 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.529 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 58.85 -126.22 41.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -98.78 21.6 11.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.88 133.32 50.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 154.01 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 17.1 mtt180 -160.88 -180.0 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 70' ' ' VAL . 2.9 p -157.96 110.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 50' ' ' ILE . 14.8 m-85 -106.04 179.77 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -94.12 162.01 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.5 mp -65.53 -29.88 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.97 -44.84 87.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -76.82 -20.1 56.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 30' ' ' LEU . 2.9 t -67.68 91.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 161.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -123.04 41.27 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.06 155.89 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.27 132.35 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -50.3 134.31 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.5 t -99.61 155.03 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -50.32 -57.48 7.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.0 t -41.33 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -43.51 -63.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.495 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.2 t80 -36.17 -60.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.09 -55.03 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -39.17 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.3 -49.57 48.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -46.8 -42.07 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -46.97 -51.45 17.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.88 -37.61 69.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.707 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.4 mmm -74.88 -38.28 61.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.33 -28.47 62.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -77.4 -48.43 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.531 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -73.65 -8.33 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.25 77.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mtp -79.85 169.93 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.467 ' O ' ' CE ' ' A' ' 120' ' ' MET . 51.8 mt-30 -110.49 152.39 26.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -95.65 -174.14 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.766 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.1 p -80.07 138.88 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.6 mm? -39.35 -33.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -60.03 -53.44 57.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.0 mt-10 -63.99 -35.55 81.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.1 mm -60.16 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.45 -54.82 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -49.5 -48.73 47.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -66.93 -53.02 35.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -40.42 -58.85 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.43 HD13 ' HD3' ' A' ' 141' ' ' LYS . 1.7 mm? -47.45 -50.01 23.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -44.53 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.657 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.88 -56.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.43 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -39.82 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' LYS . 40.5 mt-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 1.077 ' CG ' HD12 ' A' ' 130' ' ' LEU . 3.2 pm0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.919 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.97 161.72 38.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.69 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.3 m -40.28 98.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -63.25 -30.1 71.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -130.65 171.3 9.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.93 -25.68 11.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.7 mt-10 -53.08 -59.74 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 14.4 mm-40 -47.04 -45.54 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.2 tp -65.61 -26.07 67.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLU . 33.9 m-20 -82.71 -17.1 45.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 4.3 mtt85 -74.09 -29.38 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 133' ' ' ILE . 34.2 m -112.29 25.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' NH2' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -86.43 123.91 32.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 10.3 mt -82.36 161.32 22.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ARG . 26.4 p -135.6 139.7 44.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 6.8 ttp85 -35.47 -50.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -66.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 0.9 OUTLIER -46.15 -34.36 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 25' ' ' LEU . 69.2 mt -70.25 -58.05 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -47.35 -23.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -52.28 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 9.7 m0 -68.48 -11.05 59.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -63.19 -14.07 44.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -108.75 -13.76 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.27 152.16 94.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -85.5 16.96 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 43' ' ' VAL . 51.7 t80 -40.6 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -45.1 -47.28 12.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -54.0 -52.44 60.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' VAL . 74.9 m -62.13 -72.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.735 ' HB ' HD13 ' A' ' 66' ' ' ILE . 35.3 m -38.58 -44.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.0 m -55.92 104.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.81 -27.9 5.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.855 ' SG ' HD11 ' A' ' 140' ' ' ILE . 71.8 m -80.37 159.51 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.603 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 19.0 m-85 -108.87 148.4 30.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.3 m -137.53 150.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 115.07 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.6 tp -103.89 150.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.21 104.33 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 9.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -151.56 149.9 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 9.4 mmt180 -129.1 139.3 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.496 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 74.6 t -83.94 122.4 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.55 160.04 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 tt0 -122.79 131.03 53.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.735 HD13 ' HB ' ' A' ' 43' ' ' VAL . 46.3 mt -64.51 106.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' GLU . 10.4 p -94.05 9.9 35.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.2 -177.49 25.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.12 121.44 51.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 86' ' ' GLY . 29.7 m -98.35 177.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.46 147.78 45.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.5 p -121.38 176.73 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.51 -29.76 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -96.28 146.53 24.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.9 t -113.45 147.36 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.0 p90 -135.16 164.32 27.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -78.76 150.29 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 81' ' ' THR . 16.0 tp -151.46 88.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.6 19.02 70.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.45 -37.99 3.12 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 78' ' ' LEU . 15.0 t -84.67 146.78 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.538 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -105.46 111.72 24.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 t -113.64 166.11 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.917 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.5 p-10 -140.84 40.98 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -112.81 119.48 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.612 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -87.76 116.91 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 103' ' ' VAL . 7.1 mt -70.36 114.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.48 HE21 HG13 ' A' ' 70' ' ' VAL . 1.5 tt0 -77.92 98.79 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.2 mt -109.84 135.4 50.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -119.49 129.23 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -115.1 117.79 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 61.98 -122.69 29.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -103.68 21.58 15.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.08 137.22 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.65 155.53 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.0 mtt-85 -145.11 177.33 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' ARG . 48.5 t -156.49 100.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 50' ' ' ILE . 54.9 m-85 -103.87 -168.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 99.5 mtt180 -119.41 160.43 22.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.495 ' O ' ' CD ' ' A' ' 27' ' ' ARG . 8.2 mp -62.18 -26.01 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.7 pt-20 -69.25 -17.8 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 20.5 m-30 -103.65 -9.81 18.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' A' ' 30' ' ' LEU . 8.7 t -74.79 94.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 172.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -133.05 37.04 3.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.98 175.14 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.455 ' HA ' ' NH2' ' A' ' 24' ' ' ARG . 7.3 pt-20 -89.75 156.67 18.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.47 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.0 m-85 -85.23 78.7 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' PHE . 49.8 p -38.47 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.56 -26.74 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -73.57 -69.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -59.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.1 t80 -39.58 -51.78 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 mmt -69.86 -38.05 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -38.49 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 4.8 t90 -71.88 -43.33 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 108.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -43.34 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -45.88 -49.9 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.67 -41.88 74.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.583 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.7 mmm -70.62 -40.19 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.77 -33.54 68.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -73.19 -41.54 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.37 3.12 25.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.53 37.9 77.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.26 -175.63 3.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.475 ' O ' ' CE ' ' A' ' 120' ' ' MET . 10.9 pt20 -125.29 149.7 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.919 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.57 -172.83 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.69 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.5 Cg_endo -75.0 122.17 7.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 132' ' ' GLU . 10.5 p -62.37 130.95 47.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 1.077 HD12 ' CG ' ' A' ' 12' ' ' GLN . 47.6 mt -44.42 -30.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -45.08 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -65.98 -37.54 86.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.523 HD13 HG21 ' A' ' 23' ' ' VAL . 2.1 mm -55.6 -61.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -51.75 -57.2 9.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -50.69 -51.46 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 140' ' ' ILE . 11.0 tppt? -57.55 -54.43 46.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 27.7 tt0 -38.66 -63.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.3 mm? -41.45 -51.8 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.92 -42.09 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.855 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.0 mp -67.83 -51.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -51.4 -60.77 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.98 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.422 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -60.9 -28.7 69.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -135.18 170.47 11.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.01 -9.75 20.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.5 mt-10 -68.56 -57.89 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 130' ' ' LEU . 32.9 mm-40 -46.52 -43.93 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.5 tp -64.58 -31.42 72.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.8 m-20 -74.06 -17.19 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.99 -26.65 54.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 133' ' ' ILE . 15.7 m -115.18 15.81 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 39.2 ttp85 -81.82 99.6 9.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD21 ' A' ' 30' ' ' LEU . 7.4 mt -54.57 160.89 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.0 t -134.28 132.63 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.1 ttp180 -36.32 -42.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -57.07 -62.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -48.59 -48.12 39.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HD13 ' A' ' 25' ' ' LEU . 10.8 mt -57.99 -55.8 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.75 -23.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -92.59 -51.17 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.951 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.1 m0 -68.66 -8.93 46.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 p -61.11 -15.83 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -113.49 -13.39 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.453 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 9.2 mmt -60.68 157.9 35.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -88.08 30.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 43' ' ' VAL . 15.4 t80 -51.19 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.13 -41.97 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -45.47 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' VAL . 84.7 m -72.88 -71.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 39' ' ' PHE . 5.0 m -35.7 -36.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.5 m -66.38 107.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.37 -21.22 7.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 140' ' ' ILE . 51.5 m -85.72 174.9 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 20' ' ' LEU . 15.6 m-85 -120.89 141.17 50.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 66' ' ' ILE . 33.0 m -132.27 140.36 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 123.13 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 50' ' ' ILE . 5.9 tp -100.42 147.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -113.68 70.11 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.02 HD11 HG12 ' A' ' 60' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.02 HG12 HD11 ' A' ' 52' ' ' ILE . 10.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -142.8 153.18 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -142.29 150.29 40.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.723 HG13 ' CE1' ' A' ' 108' ' ' PHE . 58.9 t -90.25 145.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -151.71 145.53 25.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.0 tt0 -109.26 132.26 54.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.625 ' CD1' HD12 ' A' ' 25' ' ' LEU . 40.2 mt -65.17 131.86 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 90' ' ' ARG . 5.0 p -111.79 -7.66 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.72 -170.57 39.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 67.0 t -132.82 122.22 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 97' ' ' VAL . 18.3 m -98.52 179.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -130.23 117.49 19.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.4 p -85.96 174.25 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.69 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -97.17 154.69 17.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.854 HG22 ' HB3' ' A' ' 84' ' ' ASN . 13.4 t -111.14 144.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 50.7 p90 -132.09 159.34 39.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -77.85 150.67 34.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' THR . 13.8 tp -148.93 90.06 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.62 14.68 60.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.98 -40.71 1.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.5 t -83.86 140.91 31.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.1 mtt180 -101.8 113.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.5 t -112.68 164.29 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.7 p-10 -132.53 38.51 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -120.66 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.589 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -103.83 124.61 8.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 30' ' ' LEU . 6.0 mt -76.23 111.97 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.0 tt0 -76.31 109.7 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 14.8 mt -113.84 123.5 49.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.783 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.5 ttm180 -108.21 116.9 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' ASP . 74.7 t60 -101.47 120.98 41.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.504 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 47.76 -123.9 9.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.81 16.53 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -120.22 138.04 53.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -105.31 141.66 36.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.6 mtt-85 -147.12 172.81 13.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 70' ' ' VAL . 3.1 p -160.36 100.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 27.6 m-85 -99.4 -175.08 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 32.8 mtt180 -101.46 165.52 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 7.6 mp -66.11 -29.81 70.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.4 pt-20 -62.18 -30.63 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.3 m-30 -91.36 -6.18 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 30' ' ' LEU . 14.2 t -80.92 96.31 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -54.62 178.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -138.99 52.5 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 3.9 tt0 -117.49 179.5 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -103.93 139.21 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.723 ' CE1' HG13 ' A' ' 63' ' ' VAL . 13.6 m-85 -60.2 120.15 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.52 150.44 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -39.81 -64.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -39.29 -70.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 55.9 mm-40 -44.53 -63.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 25.3 t80 -37.54 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.02 -33.88 76.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 60.8 mmtt -64.6 -46.45 82.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -65.07 -43.56 91.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -49.13 -46.95 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.15 -53.2 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.42 66.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.543 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 31.3 mmm -65.12 -40.88 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.66 -37.35 79.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -42.72 69.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.63 -0.28 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.44 35.63 73.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -91.58 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.543 ' O ' ' HE1' ' A' ' 120' ' ' MET . 6.0 mt-30 -127.21 146.1 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.3 -176.18 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.98 127.66 10.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.1 p -73.38 136.79 44.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.1 mt -41.04 -39.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -61.32 -50.52 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.2 mt-10 -60.82 -37.94 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.582 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.1 mm -58.04 -54.14 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.91 -56.72 16.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.66 -49.28 38.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.685 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -65.71 -50.06 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 20.9 tt0 -44.05 -60.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.0 mm? -46.46 -47.04 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.5 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.3 mp -65.72 -60.27 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.477 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -41.98 -57.3 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.838 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.842 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 152.21 40.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 128' ' ' PRO . 5.0 m -35.89 135.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.15 -2.31 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -147.64 163.33 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 -5.19 16.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 4.7 mt-10 -73.3 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 34.0 mm-40 -49.13 -39.65 29.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.5 tp -72.01 -23.55 61.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' OD1' ' NH1' ' A' ' 24' ' ' ARG . 42.6 m-20 -81.85 -17.37 47.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 28.0 mtp85 -74.14 -40.09 62.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 14.1 m -103.82 19.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -80.24 133.45 36.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -87.15 157.26 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 48.0 t -133.09 138.24 46.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 8.1 ttp85 -37.8 -45.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.47 -64.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.59 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 7.1 mtmt -47.79 -43.55 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 25' ' ' LEU . 74.5 mt -62.41 -47.26 84.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -23.95 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -50.68 5.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 1.005 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.56 -17.51 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t -66.51 -16.14 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -108.01 7.82 28.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -107.71 159.99 28.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -81.29 47.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 63.5 t80 -82.78 -71.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.585 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.44 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -55.48 -49.06 73.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.7 m -69.39 -71.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.8 m -35.77 -38.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.4 m -64.15 109.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.31 -18.87 13.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 140' ' ' ILE . 98.1 m -80.62 176.98 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 34.5 m-85 -128.8 129.76 46.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.2 m -122.88 152.12 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.34 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 98' ' ' PHE . 5.8 tp -99.18 155.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -118.85 75.41 0.3 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.105 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.576 0.81 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.105 HG12 HD11 ' A' ' 52' ' ' ILE . 18.4 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 27.9 m-85 -140.78 154.64 46.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.614 ' HG2' HD12 ' A' ' 52' ' ' ILE . 1.8 mmm-85 -135.29 153.73 51.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 108' ' ' PHE . 97.1 t -107.1 121.82 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -126.2 160.53 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 25.3 tt0 -116.78 125.82 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.586 ' CD1' HD12 ' A' ' 25' ' ' LEU . 41.1 mt -62.92 123.31 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.499 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -104.4 -11.81 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.58 -169.51 42.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 43' ' ' VAL . 69.7 t -135.31 123.12 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.7 m -98.89 -179.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.2 pt-20 -134.48 118.63 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -89.5 -176.26 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.07 -28.39 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -93.9 150.57 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.931 HG22 ' HB3' ' A' ' 84' ' ' ASN . 31.1 t -117.56 149.99 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.533 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 41.5 p90 -142.0 158.81 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.23 148.81 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 81' ' ' THR . 14.2 tp -151.54 88.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.45 21.55 70.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.95 -41.52 2.08 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.4 t -84.45 145.17 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mtm-85 -102.21 113.0 25.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -113.23 168.92 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.931 ' HB3' HG22 ' A' ' 75' ' ' VAL . 14.2 p-10 -146.32 32.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -101.93 123.5 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.928 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.91 105.01 3.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -59.04 115.63 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -77.81 96.52 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.502 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.2 mt -97.91 160.07 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HB2' HG21 ' A' ' 67' ' ' THR . 7.7 ttm-85 -139.66 125.6 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' ASP . 85.2 t60 -107.24 90.51 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.31 -110.56 3.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -106.24 21.8 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -130.71 130.35 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 21.5 tt0 -95.41 158.92 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtt180 -152.85 -179.51 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -149.68 106.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 50' ' ' ILE . 91.4 m-85 -110.83 -170.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 3.0 mmt85 -118.99 163.73 16.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -64.67 -36.08 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.9 pt-20 -54.87 -38.68 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.6 m-30 -80.72 -29.78 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 13.2 t -55.49 103.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -54.51 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -146.01 -45.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.2 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.472 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.3 mt-10 -64.94 170.34 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 63' ' ' VAL . 2.1 m-85 -84.55 109.44 17.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.0 p -62.51 133.72 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -40.1 -36.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.6 m -68.74 -69.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -38.11 -62.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -44.01 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.5 mmt -48.28 -46.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -50.08 -43.89 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 3.0 t90 -66.98 -48.98 66.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -43.96 -45.96 8.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.39 -53.14 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.76 -44.43 63.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.801 ' HE2' HD23 ' A' ' 127' ' ' LEU . 33.1 mmm -66.88 -41.75 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.31 -36.4 76.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -37.93 63.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.97 1.54 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.29 30.26 61.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.79 178.63 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.495 ' O ' ' HE1' ' A' ' 120' ' ' MET . 3.6 mm-40 -116.98 150.33 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -96.52 -173.42 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.79 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 131.3 14.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -76.44 138.18 40.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.58 -41.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.3 -54.17 47.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.6 mt-10 -56.19 -35.38 67.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.559 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.8 mm -62.06 -59.69 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.05 -56.62 18.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -48.64 -48.64 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 12.1 tppt? -64.42 -45.84 85.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.2 tt0 -44.86 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.1 mm? -41.1 -52.77 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.87 -44.1 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.8 mp -65.35 -57.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -42.23 -59.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.629 ' CG ' HD23 ' A' ' 130' ' ' LEU . 4.6 pt20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.893 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 159.7 40.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 128' ' ' PRO . 3.6 m -36.92 114.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -32.1 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.66 170.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -12.71 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -64.76 -59.62 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 43.1 mm-40 -42.93 -47.56 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 47' ' ' PHE . 11.5 tp -63.55 -39.35 94.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.1 m-20 -60.48 -28.06 68.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 13.6 mtp85 -64.36 -49.38 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.07 25.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 22.9 ttp85 -84.93 82.37 8.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.973 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -41.21 161.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ARG . 78.6 p -131.15 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -36.75 -49.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.4 ' CD2' HH21 ' A' ' 32' ' ' ARG . 0.1 OUTLIER -52.23 -61.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 5.9 mtmm -47.95 -46.6 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 25' ' ' LEU . 15.6 mt -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -27.2 67.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.427 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.8 mtt180 -90.69 -49.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.943 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.1 m0 -67.86 -16.64 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.58 -15.68 61.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 3.5 p-80 -110.55 4.71 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.478 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.1 mmm -99.29 160.52 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.766 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -80.75 47.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 43' ' ' VAL . 67.3 t80 -81.01 -73.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -51.15 -47.09 62.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -48.98 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' VAL . 52.2 m -69.3 -72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.752 ' HA ' HD11 ' A' ' 25' ' ' LEU . 6.5 m -36.36 -37.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -61.67 105.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.47 -21.39 7.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.78 167.2 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.8 m-85 -116.05 148.16 40.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 66' ' ' ILE . 28.0 m -129.88 150.2 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -94.36 107.48 19.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.1 tp -100.52 153.68 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.19 105.06 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.014 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.014 HG22 HD11 ' A' ' 52' ' ' ILE . 14.4 p . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 40.1 m-85 -151.34 157.38 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -135.99 122.71 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 70.5 t -77.46 133.04 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -143.61 164.76 29.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 3.7 tt0 -120.33 133.83 55.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 ' CG1' ' A' ' 48' ' ' VAL . 35.0 mt -67.55 106.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 p -93.62 7.35 45.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.8 -176.79 29.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -128.24 124.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 HG11 ' A' ' 97' ' ' VAL . 28.4 m -99.4 -177.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 6.4 pt-20 -141.73 124.8 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -99.13 168.93 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.95 -33.82 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.7 tptm -95.1 148.5 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.86 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.5 t -110.57 144.6 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 30.0 p90 -126.78 156.35 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -70.03 145.79 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 81' ' ' THR . 15.6 tp -146.99 92.95 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.37 15.03 60.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.86 -37.72 3.01 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.8 t -84.82 144.29 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -95.65 113.1 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.592 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.4 t -112.81 167.76 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.86 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.2 p-10 -140.23 14.07 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE3' HG12 ' A' ' 69' ' ' VAL . 5.4 mtpp -101.19 103.52 14.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.68 144.52 24.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 15.0 mt -86.38 122.73 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.36 95.69 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.5 mt -98.64 141.55 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -126.36 116.56 21.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 62' ' ' ARG . 80.5 t60 -100.61 93.61 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.495 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 76.34 -126.97 8.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.07 14.61 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.76 134.64 54.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 35.2 tt0 -99.14 156.57 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' LEU . 37.2 mtt85 -151.8 -178.9 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 70' ' ' VAL . 25.5 t -150.85 109.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 50' ' ' ILE . 69.0 m-85 -113.0 155.05 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 17.1 mtt180 -79.14 160.49 26.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.8 mp -68.33 -37.7 80.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 9.9 pt-20 -53.92 -29.03 40.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-30 -82.8 -30.66 28.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 39.1 t -55.85 115.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.42 174.7 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -114.18 -37.1 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.58 167.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.404 ' HA ' ' CD ' ' A' ' 24' ' ' ARG . 2.0 mt-10 -94.65 160.08 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -65.9 158.47 27.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 t -130.35 146.7 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -39.44 -53.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 m -43.19 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -46.4 -63.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.545 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.8 t80 -36.22 -52.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.55 -44.46 78.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -59.02 -42.12 89.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 5.1 t90 -68.65 -47.61 66.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.007 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -43.31 16.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.71 -50.43 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.07 -36.59 63.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.757 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.5 mmm -74.78 -38.95 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.85 -32.58 67.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -73.89 -43.69 57.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.53 2.6 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 55.43 39.12 72.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.12 -174.0 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.486 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.9 mt-30 -126.44 149.04 49.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.893 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.23 -172.42 0.32 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.99 131.32 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -74.57 134.24 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 12' ' ' GLN . 3.5 mm? -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.99 -56.52 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' THR . 48.9 mm-40 -53.24 -39.83 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.499 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.4 mm -55.7 -60.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.45 -53.64 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -48.5 -47.85 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -65.21 -57.98 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.1 tp10 -41.12 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.8 OUTLIER -43.3 -37.18 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -64.39 -42.68 96.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.569 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -58.33 -45.76 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -57.57 12.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.947 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 100.89 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.7 m 23.23 88.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.439 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -59.31 -28.83 67.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.83 170.88 9.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.0 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.2 -55.75 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 130' ' ' LEU . 23.0 mm-40 -49.07 -44.02 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 47' ' ' PHE . 7.6 tp -65.41 -31.2 72.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.78 -25.2 62.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.3 mtp-105 -64.74 -46.49 82.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 133' ' ' ILE . 30.1 m -91.31 23.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -78.85 104.4 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.92 HD11 ' HA ' ' A' ' 43' ' ' VAL . 13.6 mt -66.5 164.15 17.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 p -133.17 138.03 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.0 ttp180 -39.26 -53.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 9.9 m80 -48.78 -64.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -43.65 -43.25 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.601 ' CD1' HG11 ' A' ' 103' ' ' VAL . 22.8 mt -66.14 -41.3 90.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -61.54 -26.55 68.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -91.26 -49.93 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.543 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.0 m0 -67.49 -16.98 64.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.75 -17.58 61.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 22.7 t60 -108.83 5.54 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 17.6 mmm -97.23 160.78 28.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -51.7 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -83.02 45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.864 ' O ' HG22 ' A' ' 43' ' ' VAL . 58.4 t80 -74.54 -64.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -60.3 -45.04 94.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.26 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' THR . 69.1 m -67.02 -72.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.92 ' HA ' HD11 ' A' ' 25' ' ' LEU . 33.1 m -36.96 -33.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.3 m -66.68 118.47 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.38 11.06 28.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.5 m -117.32 -172.74 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CD1' HD11 ' A' ' 20' ' ' LEU . 29.1 m-85 -140.68 139.77 34.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 66' ' ' ILE . 4.2 m -126.63 153.17 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.26 110.97 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 102' ' ' PHE . 4.5 tp -100.15 151.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.57 87.55 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.637 HG23 HG12 ' A' ' 52' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -154.5 141.63 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HG3' HG22 ' A' ' 50' ' ' ILE . 6.8 ptp180 -131.98 139.8 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 46.4 t -67.95 144.41 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -146.1 123.66 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 33.9 tt0 -86.08 130.01 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.23 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 48' ' ' VAL . 6.8 mt -80.16 122.92 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.7 p -107.48 -14.2 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.94 -170.57 43.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 54.6 t -130.99 129.14 63.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 97' ' ' VAL . 27.2 m -100.78 -177.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.7 pt-20 -141.89 119.77 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.7 p -89.25 170.33 10.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.28 -34.94 20.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.34 148.72 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.936 HG22 ' HB3' ' A' ' 84' ' ' ASN . 37.1 t -108.1 148.89 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.479 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 31.4 p90 -132.09 157.49 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.44 143.9 49.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 20.3 tp -141.94 85.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.06 15.63 69.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.9 -40.95 1.84 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.53 146.13 27.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.578 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.2 mtt180 -100.41 112.34 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 75' ' ' VAL . 14.6 t -114.0 167.43 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.936 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.7 p-10 -143.87 42.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -129.12 92.76 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.92 151.82 49.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.732 HD12 HG21 ' A' ' 103' ' ' VAL . 13.7 mt -88.74 119.98 29.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -77.85 95.62 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.957 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 22.8 mt -100.04 136.1 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . 14.0 ttp180 -110.46 116.14 30.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -102.87 123.36 46.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.484 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.21 -105.82 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -116.09 -8.92 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 166.37 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.04 156.54 26.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -141.52 -178.18 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 96' ' ' ARG . 18.0 t -157.33 110.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 50' ' ' ILE . 87.6 m-85 -115.72 158.37 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 14.8 mtt-85 -82.47 162.96 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.4 mp -70.99 -19.33 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.6 pt-20 -74.58 -12.81 60.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.735 ' O ' HD12 ' A' ' 50' ' ' ILE . 17.9 m-85 -110.96 17.57 20.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.732 HG21 HD12 ' A' ' 87' ' ' LEU . 3.3 t -104.12 98.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -67.15 171.31 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 104' ' ' SER . 6.4 m-20 -133.86 67.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -129.11 175.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.72 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.34 145.58 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 112' ' ' GLU . 14.8 t -107.82 136.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -38.22 -40.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.58 ' H ' HG23 ' A' ' 109' ' ' THR . 5.1 pt-20 -48.19 -44.84 33.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.0 t80 -53.68 -48.6 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 mmt -72.71 -37.27 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 t90 -69.82 -45.38 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -48.81 -45.65 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' CA ' ' A' ' 92' ' ' GLY . . . -54.81 -45.47 74.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -66.42 -38.93 88.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.18 -37.32 72.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -37.84 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.76 32.18 78.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.484 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.64 -171.11 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.512 ' O ' ' HE1' ' A' ' 120' ' ' MET . 67.1 mt-30 -127.29 146.06 50.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.32 -175.38 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.585 ' CD ' ' HB3' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 126.67 10.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.5 p -72.85 135.88 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.7 mt -41.23 -40.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -60.39 -43.47 96.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.562 HG23 HG13 ' A' ' 23' ' ' VAL . 1.4 mm -52.72 -56.81 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.6 -64.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -44.2 -57.61 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -49.23 -63.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.473 ' HA ' HD13 ' A' ' 140' ' ' ILE . 2.7 tp10 -38.4 -57.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.51 HD13 ' NZ ' ' A' ' 141' ' ' LYS . 4.2 mm? -42.27 -43.74 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -56.24 -42.15 76.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.543 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -61.34 -56.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.51 ' NZ ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -41.04 -63.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.927 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.2 m 22.43 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -56.5 -30.82 63.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.758 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -137.91 174.01 4.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.94 -6.26 17.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -71.0 -58.93 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.758 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.7 mt-10 -46.73 -46.78 20.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 47' ' ' PHE . 10.1 tp -62.3 -27.25 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.0 m-20 -82.01 -25.01 35.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.6 mtp180 -68.65 -8.11 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 133' ' ' ILE . 16.7 m -134.56 30.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 23.2 ptt180 -86.18 111.71 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 4.8 mt -67.65 151.46 47.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ARG . 1.7 p -123.62 131.7 53.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 10.5 ttp-105 -35.32 -46.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -51.85 -61.55 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 8.7 mtmt -51.88 -41.02 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 25' ' ' LEU . 68.8 mt -63.95 -44.68 92.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -30.52 70.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -85.53 -50.91 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 8.7 m0 -66.9 -16.74 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -65.64 -17.63 64.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 3.4 p80 -107.79 9.74 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.494 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -105.98 160.1 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -81.46 47.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 43' ' ' VAL . 62.5 t80 -79.95 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.38 -46.31 47.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -48.66 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 93.1 m -69.69 -72.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.605 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.9 m -37.03 -35.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.7 m -63.34 106.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.62 -18.91 9.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.3 m -82.88 168.15 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 20' ' ' LEU . 30.7 m-85 -122.94 130.34 52.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.9 m -123.36 147.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 110.86 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.8 tp -101.02 150.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.71 121.13 5.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.553 HG23 ' CD1' ' A' ' 52' ' ' ILE . 1.5 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.07 161.83 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 50' ' ' ILE . 10.5 mmt180 -142.17 126.34 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 108' ' ' PHE . 76.0 t -73.01 127.01 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -132.48 158.42 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 11.8 tt0 -122.69 124.29 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 43' ' ' VAL . 29.0 mt -63.32 114.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -99.99 4.05 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.59 -173.32 33.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 79.7 t -131.79 123.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 86' ' ' GLY . 17.7 m -98.69 -177.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -137.88 117.19 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 p -91.28 -177.31 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.39 -28.74 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 156.4 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.835 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.9 t -120.59 149.69 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 32.1 p90 -136.15 161.1 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -79.41 152.18 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 25.5 tp -148.31 72.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.51 30.65 59.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.62 -41.35 2.25 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 7.4 t -83.45 141.69 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mmt85 -106.17 113.58 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 76' ' ' TYR . 12.9 t -112.94 168.61 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.835 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.1 p-10 -137.84 25.93 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -98.72 117.5 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -89.82 110.13 3.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -64.87 117.89 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.577 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -77.89 95.57 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.598 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.8 mt -99.93 129.22 45.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -108.98 134.03 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -124.34 132.8 53.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.57 -102.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.458 HD22 ' HB1' ' A' ' 123' ' ' ALA . 5.7 t-20 -128.39 18.85 6.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.54 143.88 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.71 154.01 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.527 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 5.5 mtt-85 -144.41 176.29 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.88 105.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 50' ' ' ILE . 77.3 m-85 -111.21 164.01 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.24 145.89 25.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.1 mp -52.15 -33.36 39.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 5.8 pt-20 -56.5 -33.26 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.4 m-30 -85.69 -21.1 28.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.778 HG11 ' CD1' ' A' ' 30' ' ' LEU . 3.8 t -67.51 101.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.7 m -78.6 158.64 28.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -118.66 69.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.06 172.3 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.39 139.2 30.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 63' ' ' VAL . 22.6 m-85 -67.16 127.65 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 112' ' ' GLU . 3.5 t -92.45 145.53 24.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 30.8 tt0 -36.57 -58.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -43.03 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.438 ' H ' HG23 ' A' ' 109' ' ' THR . 65.2 mm-40 -42.4 -63.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 21.1 t80 -36.89 -63.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -60.46 -41.39 94.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.72 -41.7 87.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -70.24 -45.17 67.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.33 -44.82 34.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -44.25 -50.48 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.66 75.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.519 ' CE ' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.22 -40.17 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.07 -38.32 85.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -38.87 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.028 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 93' ' ' ASN . . . -78.54 -2.96 41.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.38 62.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -170.58 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.515 ' O ' ' HE1' ' A' ' 120' ' ' MET . 2.7 mm-40 -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -90.45 -177.9 0.86 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -74.99 133.77 17.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.32 138.46 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 19' ' ' GLU . 8.5 mt -43.97 -37.96 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.23 -44.1 97.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.5 mt-10 -68.3 -42.19 79.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.592 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -54.97 -48.46 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.56 -59.87 3.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -47.85 -51.12 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.2 tppt? -57.33 -61.15 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.524 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.2 tp10 -42.7 -55.83 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 138' ' ' LEU . 0.4 OUTLIER -44.81 -36.54 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.68 -39.17 93.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.51 -45.62 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -63.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.989 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.6 tt0 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.951 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.97 106.91 2.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.22 90.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -58.6 -30.11 66.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -136.54 171.31 8.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 71.7 mm-40 -67.52 -51.82 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 133' ' ' ILE . 51.8 mm-40 -52.81 -37.77 60.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.8 tp -73.42 -19.98 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.534 ' OD1' ' CD2' ' A' ' 108' ' ' PHE . 19.8 m-20 -85.4 -16.9 38.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 9.1 mtp-105 -69.5 -49.62 52.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.69 26.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.9 ttm-85 -81.14 103.69 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.737 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -67.19 155.62 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' ARG . 34.6 p -124.97 138.6 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -37.1 -56.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 94.3 m-70 -45.99 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -43.09 -48.7 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 25' ' ' LEU . 16.0 mt -59.16 -64.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -35.43 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -82.33 -51.65 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.737 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.5 m0 -68.05 -14.2 62.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -67.41 -10.13 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.66 4.17 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 37.1 mmm -97.75 160.63 28.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -84.26 45.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CE1' HG11 ' A' ' 43' ' ' VAL . 12.8 t80 -79.1 -72.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -49.2 -53.67 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -56.17 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' VAL . 79.4 m -62.57 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.2 m -35.85 -43.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.8 m -54.59 106.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -25.26 7.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.6 m -76.89 169.37 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 20' ' ' LEU . 21.0 m-85 -124.91 138.47 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.75 144.89 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -84.18 113.46 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -101.03 151.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.61 107.58 1.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 12.1 p . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.26 140.22 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.548 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.1 mmp_? -123.52 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.422 HG22 ' CE1' ' A' ' 108' ' ' PHE . 51.9 t -75.24 133.27 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.758 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.32 154.45 47.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -123.12 133.23 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 43' ' ' VAL . 44.1 mt -66.13 109.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -95.75 4.31 53.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.82 -164.71 32.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.626 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 52.2 t -142.28 122.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.733 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 86' ' ' GLY . 33.2 m -98.78 -175.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.6 pt-20 -136.9 121.58 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 77.4 p -93.33 -179.77 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.66 -28.86 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -90.33 149.56 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 84' ' ' ASN . 9.5 t -114.22 147.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 28.1 p90 -140.87 154.67 46.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 19.1 tt0 -70.91 147.94 48.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 81' ' ' THR . 8.2 tp -154.66 86.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.43 82.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.03 -40.83 2.29 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.5 t -83.82 144.85 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mtt180 -110.15 111.38 22.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.0 t -114.27 141.3 47.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.679 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.1 p-10 -107.15 22.41 16.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 69' ' ' VAL . 2.0 mttp -88.23 162.87 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -135.26 121.6 2.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.444 HD12 HG21 ' A' ' 103' ' ' VAL . 8.3 mt -76.7 118.11 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' C ' HD23 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -80.2 101.19 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.758 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -109.99 125.7 53.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -111.34 135.3 52.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -117.99 92.3 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.493 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 81.53 -120.93 5.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -102.16 22.13 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 126.46 31.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -91.9 153.57 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 1.1 mtt-85 -143.15 179.98 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.1 t -153.16 107.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.0 m-85 -109.47 -170.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 49.3 mmt-85 -117.54 163.03 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 78' ' ' LEU . 4.7 mp -65.53 -37.58 87.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 10.9 pt-20 -55.55 -27.34 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.555 ' O ' HD12 ' A' ' 50' ' ' ILE . 15.2 m-85 -102.79 14.68 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.7 t -102.45 96.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -91.84 157.06 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' GLN . 15.1 m-20 -91.53 -66.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER 37.29 -154.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.4 pt-20 -132.2 152.35 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.1 m-85 -84.08 100.03 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 112' ' ' GLU . 9.8 t -71.04 136.58 48.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' THR . 18.9 tt0 -36.44 -49.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -45.71 -72.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.476 ' H ' HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -44.07 -64.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 30.1 t80 -37.66 -46.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.92 -38.87 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 3.6 mmmt -63.21 -40.07 96.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 3.8 t90 -70.38 -45.51 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -47.39 -46.28 25.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -42.97 -51.62 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.97 -44.54 70.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.464 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.5 mmm -67.58 -41.32 84.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.88 -34.86 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -39.07 63.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.75 4.64 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.91 37.24 57.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.9 -173.9 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.439 ' O ' ' HE1' ' A' ' 120' ' ' MET . 13.3 pt20 -126.39 145.2 50.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.951 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.12 -178.3 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 130.51 13.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.0 p -81.29 138.97 35.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -40.82 -30.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -67.59 -52.41 38.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -60.88 -42.34 97.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.581 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -53.96 -54.32 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -62.32 -59.64 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 10.9 pttt -47.15 -50.41 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.4 tppt? -57.43 -61.35 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.0 tp10 -43.5 -56.78 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -44.89 -32.17 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -68.58 -42.32 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.531 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -60.74 -50.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -66.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.971 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.884 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 156.64 42.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 128' ' ' PRO . 11.2 m -45.89 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.455 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -81.02 -22.98 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.575 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.96 167.53 21.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.01 -8.56 20.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.8 mt-10 -68.18 -61.83 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 14' ' ' VAL . 80.2 mm-40 -48.44 -41.31 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.0 tp -68.54 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' GLU . 6.3 m-20 -79.11 -13.77 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -78.9 -6.34 55.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 133' ' ' ILE . 3.1 m -132.01 17.81 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.1 ptt85 -73.69 116.56 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -76.82 156.03 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ARG . 84.5 p -119.66 134.7 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' CZ ' ' CB ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -37.83 -55.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -46.84 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 16.1 mttp -42.8 -43.75 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 25' ' ' LEU . 30.4 mt -62.81 -50.76 69.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 1.5 tt0 -56.94 -37.15 71.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -50.71 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.644 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.5 m0 -67.72 -15.81 63.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -64.99 -11.85 43.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 108.281 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -114.17 5.43 15.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.1 mmm -100.72 160.38 26.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -81.54 47.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 43' ' ' VAL . 10.9 t80 -82.76 -72.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.37 -55.06 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -55.92 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 m -59.23 -74.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.793 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.8 m -39.28 -40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.536 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 8.4 m -58.94 106.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.29 -10.37 9.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 140' ' ' ILE . 63.7 m -94.07 170.36 9.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 m-85 -123.44 128.13 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 25' ' ' LEU . 32.8 m -120.14 153.01 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.32 111.59 23.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.555 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -100.44 150.22 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.23 105.33 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 52' ' ' ILE . 9.4 p . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -153.02 142.93 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.585 ' CG ' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -127.05 127.82 45.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.481 HG22 ' CE1' ' A' ' 108' ' ' PHE . 71.7 t -67.62 129.11 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.72 148.63 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 20.0 tt0 -113.66 131.73 56.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 ' HB ' ' A' ' 43' ' ' VAL . 38.7 mt -63.07 116.44 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.1 p -96.31 -8.42 32.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.33 -171.95 39.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.603 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 55.6 t -130.5 121.06 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.3 m -98.33 -176.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.2 pt-20 -137.54 118.11 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.5 p -88.62 171.96 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.91 -32.83 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.82 157.21 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.818 HG22 ' HB3' ' A' ' 84' ' ' ASN . 26.6 t -117.56 147.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 36.3 p90 -133.57 157.72 44.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.6 155.04 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 100' ' ' LEU . 9.0 tp -159.08 90.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.99 13.03 63.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 -34.61 3.99 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 1.7 t -84.22 151.7 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -107.41 113.28 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.574 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.1 t -111.82 165.31 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.818 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.4 p-10 -135.99 11.6 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -93.48 129.08 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.801 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.21 116.54 5.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 30' ' ' LEU . 5.6 mt -68.09 112.28 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.2 tt0 -77.26 110.2 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -118.73 140.64 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' A' ' 67' ' ' THR . 0.5 OUTLIER -114.17 156.88 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -134.87 99.86 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.53 -120.89 16.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -93.67 19.11 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.06 168.11 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.13 149.28 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 15.0 mtt85 -153.08 -179.84 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.716 HG21 HG21 ' A' ' 70' ' ' VAL . 2.8 p -164.51 107.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 16.2 m-85 -103.71 -167.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 103' ' ' VAL . 6.7 mtt180 -108.61 168.5 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 78' ' ' LEU . 5.6 mp -66.48 -35.46 80.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.7 pt-20 -57.73 -39.8 78.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.0 m-30 -79.68 -17.77 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 30' ' ' LEU . 20.4 t -72.85 127.27 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.4 m -103.12 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -132.0 76.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.98 167.51 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.22 119.22 21.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 63' ' ' VAL . 7.7 m-85 -49.02 122.88 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HB2' ' A' ' 112' ' ' GLU . 11.3 t -83.75 158.35 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.34 -58.69 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.485 ' HB2' HG22 ' A' ' 109' ' ' THR . 0.3 OUTLIER -47.49 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 38.2 t80 -34.74 -58.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.91 -42.84 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 112' ' ' GLU . 36.8 mmtt -55.68 -38.85 70.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.74 -45.24 68.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 121' ' ' PHE . 0.6 OUTLIER -50.39 -42.45 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -45.85 -53.02 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.15 -40.59 67.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.917 ' HE2' HD23 ' A' ' 127' ' ' LEU . 30.4 mmm -71.28 -37.8 71.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 117' ' ' LYS . 3.9 m-85 -70.34 -33.71 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -77.86 -45.06 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -10.83 60.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.72 8.54 72.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.0 mtp -77.32 149.97 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.0 pt20 -90.84 157.63 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.917 HD23 ' HE2' ' A' ' 120' ' ' MET . 0.1 OUTLIER -96.27 -172.78 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.02 130.2 13.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -80.46 138.68 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.5 mm? -41.46 -30.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -51.86 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.3 mt-10 -62.65 -41.36 99.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 23' ' ' VAL . 1.1 mm -57.56 -52.75 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.82 -59.74 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -48.81 -49.9 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.6 tppt? -56.69 -58.92 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.0 OUTLIER -40.43 -61.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 141' ' ' LYS . 0.9 OUTLIER -40.99 -45.98 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -43.76 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -59.85 -54.6 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -43.13 -64.99 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.936 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.8 tt0 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.626 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 24.04 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -33.54 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.63 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.92 173.49 5.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.02 -8.5 20.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.5 mt-10 -70.02 -53.89 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 57.9 mm-40 -50.08 -35.52 25.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.628 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.1 tp -73.75 -24.15 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.7 m-20 -79.61 -19.39 49.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.08 -34.01 65.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.494 HG21 HD13 ' A' ' 133' ' ' ILE . 20.3 m -111.04 19.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 28.3 ttp85 -81.18 99.32 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.002 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -53.43 158.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' ARG . 95.5 p -129.4 128.7 43.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 3.7 ttp-105 -35.83 -38.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 14.1 m170 -63.03 -58.95 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 8.1 mtmm -51.67 -39.22 57.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 25' ' ' LEU . 20.5 mt -64.59 -55.82 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.41 -23.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 28' ' ' HIS . 1.9 mtt-85 -92.0 -50.71 5.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.956 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.7 m0 -68.87 -9.55 52.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -59.65 -16.31 25.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -18.34 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 9.1 mmt -56.4 152.77 22.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.1 p90 -83.75 12.72 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.801 ' CE1' HG11 ' A' ' 43' ' ' VAL . 38.9 t80 -35.39 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -46.31 -46.22 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -54.0 -49.93 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 43' ' ' VAL . 20.3 m -67.65 -71.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.3 m -37.44 -35.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -66.58 111.04 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.82 -6.41 24.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.838 ' SG ' HD11 ' A' ' 140' ' ' ILE . 9.2 m -93.13 -177.09 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.628 ' CG ' HD11 ' A' ' 20' ' ' LEU . 38.2 m-85 -135.12 135.56 41.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.543 ' HB ' HG13 ' A' ' 103' ' ' VAL . 9.2 m -134.06 155.23 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 120.12 30.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.77 154.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.67 85.3 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.927 HD11 HG21 ' A' ' 60' ' ' VAL . 38.7 pt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.43 0.724 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.927 HG21 HD11 ' A' ' 52' ' ' ILE . 11.5 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.17 137.7 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.8 mtt180 -135.41 126.95 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.062 HG22 ' CE1' ' A' ' 108' ' ' PHE . 91.3 t -58.78 143.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.07 152.17 40.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.85 128.78 56.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 29.6 mt -73.29 110.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 18.2 p -90.99 -9.17 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.31 -165.06 38.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.1 124.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 86' ' ' GLY . 24.5 m -98.54 -177.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.4 pt-20 -134.57 116.49 15.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -84.22 166.86 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.57 -42.17 18.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -110.09 139.8 44.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.886 HG12 ' HB3' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -87.51 153.12 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 10.0 p90 -120.8 173.87 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -83.67 135.85 34.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 31.3 tp -127.0 59.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.75 -30.56 4.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.95 -44.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -84.92 144.58 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -103.27 111.3 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.2 t -117.4 143.67 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.886 ' HB3' HG12 ' A' ' 75' ' ' VAL . 3.3 p-10 -105.63 32.18 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -101.02 145.68 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -123.19 116.92 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 103' ' ' VAL . 6.6 mt -70.9 115.33 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.508 HE21 HG13 ' A' ' 70' ' ' VAL . 1.7 tt0 -79.22 95.54 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.754 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.2 mt -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 4.2 ttt85 -121.12 155.42 34.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -149.95 115.5 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 63.56 -105.2 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -124.8 10.61 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.57 155.11 28.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 96' ' ' ARG . 9.3 tt0 -108.18 155.16 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 42.4 mtt85 -143.08 175.53 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 t -147.26 105.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 85.6 m-85 -110.47 -171.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.58 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 4.9 mmt85 -121.86 160.66 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.1 mp -61.06 -33.18 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.0 pt-20 -61.61 -24.48 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.23 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.7 m-30 -98.72 -1.97 39.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 87' ' ' LEU . 15.0 t -86.27 91.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 163.78 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 106' ' ' GLN . 11.2 p30 -112.86 -160.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 11.8 tt0 78.36 166.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.433 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 2.3 mt-10 -78.37 142.48 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 1.062 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.1 m-85 -49.9 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.2 p -125.72 137.15 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -47.76 -29.25 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t -73.26 -69.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -41.44 -46.55 3.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.5 t80 -50.94 -49.34 60.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.4 mmt -71.83 -40.45 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 t90 -67.91 -46.69 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.28 -48.28 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -40.88 -52.44 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.59 -42.99 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.807 ' HE2' HD23 ' A' ' 127' ' ' LEU . 27.2 mmm -69.18 -40.12 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.29 -33.04 74.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -77.25 -42.91 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.78 -3.16 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.29 28.59 67.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -87.26 -172.16 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CE ' ' A' ' 120' ' ' MET . 5.7 mm-40 -126.77 148.49 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.906 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.04 -177.54 0.75 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.99 -29.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -68.69 -52.06 34.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.0 mm-40 -62.16 -38.55 89.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.626 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -59.76 -49.96 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.25 -60.28 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -49.07 -49.41 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.7 tppt? -59.84 -53.21 60.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 140' ' ' ILE . 36.7 tt0 -43.36 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.559 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.6 mm? -42.82 -46.61 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -41.34 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.838 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -66.56 -49.78 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.559 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -46.83 -59.02 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.994 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.923 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.92 110.38 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 19.66 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -32.93 63.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -133.44 173.05 6.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -8.92 20.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.4 mt-10 -68.79 -62.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 56.7 mm-40 -42.11 -45.76 4.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 128' ' ' PRO . 6.5 tp -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.2 m-20 -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -63.92 -29.77 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 133' ' ' ILE . 25.3 m -115.65 28.58 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.41 103.35 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 30' ' ' LEU . 9.3 mt -55.56 163.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 68.8 m -139.19 139.72 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 6.8 ttp85 -36.94 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 17.2 mttp -44.89 -36.92 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 25' ' ' LEU . 91.1 mt -70.75 -46.09 63.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -25.15 66.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.84 -51.07 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.919 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.8 -16.42 64.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.46 -16.45 63.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -108.99 4.81 23.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.0 mmm -101.04 159.32 29.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -83.08 45.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' O ' HG13 ' A' ' 43' ' ' VAL . 58.9 t80 -79.74 -69.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.566 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.83 -45.23 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -49.1 73.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' THR . 45.6 m -69.43 -71.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.883 ' HA ' HD11 ' A' ' 25' ' ' LEU . 7.6 m -36.4 -34.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.2 m -68.05 108.69 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.84 -11.78 17.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' ' 140' ' ' ILE . 15.8 m -96.37 156.84 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.6 m-85 -98.74 156.06 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 66' ' ' ILE . 17.0 m -145.3 146.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 113.66 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -101.23 150.06 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.01 105.54 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.078 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.078 HG22 HD11 ' A' ' 52' ' ' ILE . 12.6 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -153.55 151.81 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.721 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.0 mmp_? -133.93 123.53 24.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.841 HG22 ' CE1' ' A' ' 108' ' ' PHE . 49.5 t -80.91 128.83 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -137.41 152.94 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.46 126.55 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.579 ' CD1' HD12 ' A' ' 25' ' ' LEU . 14.6 mt -62.18 131.14 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 p -112.58 0.44 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.2 -171.19 35.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 85' ' ' LYS . 77.5 t -134.02 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 86' ' ' GLY . 19.1 m -99.32 -176.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.3 pt-20 -136.32 119.06 16.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -92.72 -172.03 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.28 -29.07 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -94.81 149.01 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 84' ' ' ASN . 23.7 t -118.3 151.27 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 29.2 p90 -141.38 157.79 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 39.7 tt0 -69.97 151.55 45.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' THR . 12.6 tp -152.71 92.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 62.66 16.39 55.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.91 -41.85 1.78 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 78' ' ' LEU . 12.6 t -83.83 144.77 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mmm-85 -102.44 113.16 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -113.08 167.98 10.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.6 p-10 -140.13 14.77 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HD3' HG11 ' A' ' 69' ' ' VAL . 31.7 mttt -84.62 123.0 29.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.844 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -93.26 106.63 3.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 103' ' ' VAL . 7.0 mt -61.98 115.15 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 97' ' ' VAL . 1.7 tt0 -78.41 96.01 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 87' ' ' LEU . 6.3 mt -95.48 157.43 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.4 115.63 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' ASP . 48.2 t60 -100.68 106.15 17.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.579 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.67 -123.06 32.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.83 21.54 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.4 OUTLIER -128.85 131.77 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.16 152.77 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 11.5 mtt180 -150.19 -179.19 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 88' ' ' GLN . 71.6 t -153.67 109.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 50' ' ' ILE . 73.5 m-85 -113.13 -169.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 26.5 mtt180 -115.11 168.38 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.4 mp -67.07 -37.21 83.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.2 pt-20 -54.19 -42.53 69.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.6 m-85 -77.5 -23.85 50.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 30' ' ' LEU . 5.8 t -65.49 94.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -111.49 -33.79 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -48.55 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.18 159.38 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.841 ' CE1' HG22 ' A' ' 63' ' ' VAL . 8.0 m-85 -65.1 142.72 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 112' ' ' GLU . 10.9 t -117.79 156.07 28.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 111' ' ' SER . 40.2 tt0 -43.54 -66.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -38.2 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 109' ' ' THR . 6.2 mm-40 -41.8 -65.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 31.9 t80 -38.05 -50.04 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.6 mmt -71.52 -36.69 71.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 112' ' ' GLU . 45.3 mmtt -62.41 -45.55 92.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.494 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -66.29 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.7 OUTLIER -42.5 -48.0 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.48 -49.61 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.09 69.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.705 ' HE2' HD23 ' A' ' 127' ' ' LEU . 20.4 mmm -69.94 -40.33 75.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.46 -34.27 75.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -74.5 -42.18 59.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.11 -2.14 39.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.68 38.89 94.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.77 -173.9 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.513 ' O ' ' CE ' ' A' ' 120' ' ' MET . 68.1 mt-30 -126.24 149.1 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.77 -175.86 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.01 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.5 p -71.76 140.87 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -43.04 -36.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -45.29 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -65.92 -38.76 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.571 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -57.48 -70.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . 0.534 ' CA ' ' HG3' ' A' ' 137' ' ' GLU . 8.5 t-20 -36.13 -60.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -49.92 -44.26 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 133' ' ' ILE . 15.6 tppt? -63.16 -59.02 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 133' ' ' ILE . 3.3 mt-10 -33.58 -52.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -42.0 -62.63 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.8 t -40.01 -34.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.701 HG23 ' HH2' ' A' ' 33' ' ' TRP . 4.8 mp -84.99 -51.92 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.51 ' HD2' ' CB ' ' A' ' 137' ' ' GLU . 1.3 mttp -48.7 -42.33 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.796 ' O ' HD22 ' A' ' 130' ' ' LEU . 2.1 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.939 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 Cg_endo -75.04 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 22.97 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -34.34 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -135.92 173.67 5.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.02 -17.92 19.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -61.98 -49.42 76.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.74 ' CD ' HD12 ' A' ' 130' ' ' LEU . 34.6 mm-40 -50.75 -40.86 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HG2' ' A' ' 128' ' ' PRO . 7.7 tp -68.41 -21.44 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 2.1 m-20 -84.03 -10.14 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 11.2 mtp180 -87.16 1.14 53.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 133' ' ' ILE . 8.4 m -147.85 20.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -81.46 82.58 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -38.39 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' ARG . 32.3 t -127.59 134.47 49.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -37.32 -44.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -60.89 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -50.54 -44.32 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 25' ' ' LEU . 25.1 mt -61.46 -44.19 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -30.68 69.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.442 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.2 mtt180 -85.14 -49.68 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.816 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.9 m0 -68.01 -14.89 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.05 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -65.76 -18.07 65.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 4.4 p-80 -107.49 5.04 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 mmm -100.56 159.71 28.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -82.62 46.04 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.648 ' O ' HG13 ' A' ' 43' ' ' VAL . 57.1 t80 -79.05 -72.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.604 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.14 -45.43 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.23 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 136' ' ' LYS . 78.1 m -70.16 -72.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.778 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.0 m -35.51 -38.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.5 m -62.41 110.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.02 -4.03 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 140' ' ' ILE . 1.6 m -95.23 179.55 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.7 m-85 -130.31 140.26 50.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.578 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.8 m -136.55 146.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -85.84 112.69 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -102.33 148.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.58 103.27 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 52' ' ' ILE . 7.2 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 49' ' ' ARG . 26.6 m-85 -149.72 149.56 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.2 mmp_? -132.98 124.32 27.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.719 HG22 ' CE1' ' A' ' 108' ' ' PHE . 38.3 t -64.09 126.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.46 149.95 52.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 12.9 tt0 -109.93 130.13 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.529 HD12 HD12 ' A' ' 25' ' ' LEU . 4.4 mt -64.68 130.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 90' ' ' ARG . 6.9 p -113.33 -15.02 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.96 -169.23 41.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 40' ' ' ALA . 73.0 t -133.97 121.09 37.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.63 174.69 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.87 149.59 41.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -124.47 179.23 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.23 -29.91 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB3' ' A' ' 84' ' ' ASN . 17.6 t -116.16 148.22 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE2' ' CD ' ' A' ' 99' ' ' ARG . 37.5 p90 -137.29 162.16 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -77.07 148.05 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 21.0 tp -147.05 78.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.37 23.03 78.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.58 -41.27 2.11 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.4 t -84.13 144.39 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.4 mtt180 -104.95 112.8 26.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -114.37 154.51 27.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.849 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.7 p-10 -129.25 36.47 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 25.5 mtmm -111.08 124.99 53.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.527 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -90.18 117.67 5.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . 5.6 mt -75.13 111.95 10.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 2.1 tt0 -75.84 111.09 10.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.6 mt -115.53 124.29 50.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 67' ' ' THR . 23.0 ttp180 -115.3 126.98 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.526 ' NE2' ' HB3' ' A' ' 119' ' ' ALA . 19.9 t-160 -120.83 124.43 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 51.38 -133.58 34.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -90.68 19.83 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -127.34 124.78 39.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 149.57 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -159.06 -177.2 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 87' ' ' LEU . 3.5 p -163.93 125.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CG ' HG12 ' A' ' 50' ' ' ILE . 19.4 m-85 -116.62 -164.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.578 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.5 mmp_? -106.43 158.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 8.7 mp -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 pt-20 -64.96 -25.56 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 18.8 m-30 -96.7 -5.96 37.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.707 HG11 ' CD1' ' A' ' 30' ' ' LEU . 18.8 t -78.62 111.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 49' ' ' ARG . 5.9 t -55.23 177.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -150.6 40.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -123.28 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.67 139.7 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.719 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.9 m-85 -62.03 120.02 10.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.44 148.98 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 42.3 tt0 -42.12 -62.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.5 m -38.19 -67.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 2.2 mm-40 -37.38 -62.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 12.9 t80 -42.36 -60.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 mmt -59.89 -59.96 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.06 -45.89 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.52 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 8.3 t90 -67.79 -50.71 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -45.13 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.74 -52.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . . . -52.59 -43.64 65.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.68 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.2 mmm -68.23 -41.02 81.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -67.87 -34.76 77.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -75.2 -42.63 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.52 -3.02 31.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.38 32.61 77.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.14 -175.0 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 111.007 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CE ' ' A' ' 120' ' ' MET . 63.1 mt-30 -123.48 148.7 45.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.939 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -90.95 -174.39 0.44 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.618 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.05 128.66 11.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -78.51 139.23 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.9 mm? -38.41 -39.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -56.7 -60.6 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 1.6 mt-10 -50.66 -45.42 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -57.51 -55.66 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -55.84 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.8 -54.39 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 3.5 tppt? -53.55 -56.1 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 18.0 tt0 -40.0 -62.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -44.23 -52.95 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.54 -45.64 13.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 3.2 mp -62.77 -55.59 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.423 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.0 OUTLIER -44.93 -56.86 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -161.25 158.52 27.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 0.74 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.2 p -178.43 168.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.994 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.59 115.37 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.66 137.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.9 p -175.87 156.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.73 145.13 5.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -74.98 137.36 21.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.4 Cg_endo -74.99 -27.7 9.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.58 92.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.438 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 1.2 m -162.28 -173.01 3.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 1.002 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 -109.45 133.31 20.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.928 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.04 108.95 2.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 21.16 89.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -31.82 63.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.028 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.3 172.43 7.06 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.94 -8.63 20.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.0 mt-10 -71.71 -57.79 4.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 67.9 mm-40 -46.46 -41.49 14.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.625 HD11 ' CD2' ' A' ' 47' ' ' PHE . 14.3 tp -69.15 -31.5 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' GLU . 4.2 m-20 -70.99 -26.96 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 46.2 mtp180 -63.51 -39.8 95.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.471 HG21 HD13 ' A' ' 133' ' ' ILE . 30.3 m -104.75 30.59 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.569 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 15.0 ttp85 -93.05 91.15 7.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.97 HD13 HD21 ' A' ' 30' ' ' LEU . 6.9 mt -41.29 161.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' HB3' ' NH2' ' A' ' 24' ' ' ARG . 80.3 p -135.92 138.4 42.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG2' HD11 ' A' ' 78' ' ' LEU . 13.8 ttp180 -38.8 -41.86 0.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -57.1 -68.16 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.58 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.582 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 10.5 mtmt -46.13 -38.45 8.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.97 HD21 HD13 ' A' ' 25' ' ' LEU . 80.1 mt -67.04 -46.9 73.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.82 -28.33 67.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -88.12 -50.15 6.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.34 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.898 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.3 m0 -67.3 -16.94 64.56 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.13 -16.05 61.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 108.328 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.4 p80 -111.1 6.91 21.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.612 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 34.4 mmm -102.22 159.42 29.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -81.95 47.11 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' O ' HG13 ' A' ' 43' ' ' VAL . 71.3 t80 -81.48 -72.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.54 -44.73 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -50.48 65.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 44' ' ' THR . 89.5 m -69.58 -72.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.78 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.3 m -35.32 -34.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 5.6 m -68.61 106.89 2.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.14 -11.92 12.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.554 1.159 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.457 ' C ' ' CD1' ' A' ' 47' ' ' PHE . 56.5 m -88.31 -166.46 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CD2' HD11 ' A' ' 20' ' ' LEU . 31.4 m-85 -143.99 140.23 29.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.568 ' HB ' HG13 ' A' ' 103' ' ' VAL . 20.7 m -129.45 159.79 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.621 ' NH2' ' CD2' ' A' ' 61' ' ' TYR . 1.4 ttt-85 -102.08 115.3 30.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.238 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.0 tp -100.68 144.06 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -105.37 77.46 0.25 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.095 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.845 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.98 -42.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' N ' HG12 ' A' ' 52' ' ' ILE . . . -160.39 -164.54 15.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.443 1.089 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.36 -56.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 0.801 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.89 -173.81 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.599 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 57' ' ' SER . 4.8 m120 -112.19 90.41 3.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 56' ' ' ASN . 1.1 m 162.56 -70.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 109.993 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.43 139.01 34.32 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' C ' ' CG2' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.97 171.98 17.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.845 HG12 HD11 ' A' ' 52' ' ' ILE . 1.5 t -148.4 134.99 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.621 ' CD2' ' NH2' ' A' ' 49' ' ' ARG . 57.6 m-85 -153.52 156.2 37.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.603 ' HG2' HD12 ' A' ' 52' ' ' ILE . 12.0 mmm180 -146.02 144.38 30.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG22 ' CD1' ' A' ' 108' ' ' PHE . 73.4 t -87.08 135.36 25.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.72 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -136.72 149.47 47.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -109.91 123.24 49.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.464 HG21 HG23 ' A' ' 43' ' ' VAL . 51.2 mt -64.51 122.42 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.421 HG21 ' HB2' ' A' ' 90' ' ' ARG . 18.3 p -101.93 -15.06 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.401 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.64 -169.36 42.44 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.571 1.169 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.42 HG21 ' HA ' ' A' ' 40' ' ' ALA . 79.1 t -132.69 124.7 51.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 86' ' ' GLY . 20.9 m -98.7 -177.86 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.8 pt-20 -133.43 121.88 22.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 70.5 p -95.43 179.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.64 -31.08 10.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.441 1.088 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -94.89 144.85 25.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.978 HG22 ' HB3' ' A' ' 84' ' ' ASN . 39.1 t -107.21 150.49 9.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 33.1 p90 -136.44 159.03 43.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -75.76 152.08 37.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' THR . 19.4 tp -151.33 73.99 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.2 29.34 60.52 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.45 -39.47 2.87 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 78' ' ' LEU . 4.2 t -84.37 146.42 27.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 0.752 . . . . 0.0 110.405 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.504 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -109.18 112.67 24.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.503 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 13.2 t -113.7 167.01 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.118 . . . . 0.0 110.401 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.978 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.7 p-10 -141.26 44.48 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -118.72 112.25 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.657 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -82.32 118.76 4.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -71.06 114.51 9.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.524 HE21 HG13 ' A' ' 70' ' ' VAL . 1.2 tt0 -77.83 97.75 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.72 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 17.5 mt -100.12 159.8 14.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HB2' HG21 ' A' ' 67' ' ' THR . 1.4 ttm180 -135.77 116.81 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 94' ' ' ASP . 69.8 t60 -96.99 94.3 7.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.609 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 71.13 -112.32 4.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -105.44 14.11 29.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.764 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' HIS . 1.0 OUTLIER -122.79 135.33 54.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -92.99 165.67 12.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 97' ' ' VAL . 2.7 mtt-85 -158.96 -178.34 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.7 t -153.81 103.47 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.576 ' CD2' HG12 ' A' ' 50' ' ' ILE . 83.6 m-85 -108.08 -172.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 16.0 mmt-85 -116.13 161.33 19.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.7 mp -64.01 -40.73 97.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 1.6 pt-20 -50.4 -38.97 45.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.3 m-30 -78.09 -30.57 49.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.605 HG11 ' CD1' ' A' ' 30' ' ' LEU . 9.9 t -59.71 96.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 -174.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -147.25 64.95 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -130.71 161.72 31.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.147 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.16 127.87 33.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 63' ' ' VAL . 8.5 m-85 -50.87 105.01 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.6 p -54.51 147.08 14.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -52.8 -25.45 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLU . 16.8 m -78.01 -65.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.3 OUTLIER -38.93 -56.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.3 t80 -46.45 -52.89 12.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -68.16 -41.18 81.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -60.2 -46.19 90.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.493 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -66.77 -44.08 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 107.997 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -42.28 35.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -45.89 -51.35 13.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' HB1' ' HA3' ' A' ' 92' ' ' GLY . . . -54.56 -39.35 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.69 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.9 mmm -73.4 -39.87 64.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 111.077 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.14 -28.84 63.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.6 t -76.51 -44.46 35.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.536 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -78.0 -11.93 59.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 77.01 11.52 85.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.536 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 11.7 mtp -72.55 167.08 21.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.436 ' O ' ' CE ' ' A' ' 120' ' ' MET . 7.7 mt-30 -108.22 151.55 25.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.928 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.95 -174.18 0.4 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.594 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -75.0 130.38 13.23 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.454 1.765 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.1 p -80.17 139.34 36.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 1.002 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -42.35 -30.27 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -67.64 -50.33 58.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -63.19 -43.94 96.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.331 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.657 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.5 mm -51.21 -53.83 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -62.71 -62.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -44.24 -54.38 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.0 tppt? -56.46 -59.63 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.539 ' HA ' HD13 ' A' ' 140' ' ' ILE . 6.8 tp10 -44.2 -54.8 5.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.9 OUTLIER -45.37 -27.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -75.54 -39.96 57.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.007 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.596 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.1 mp -60.21 -45.72 95.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -56.19 -63.36 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -48.75 -49.06 40.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -44.34 -59.61 2.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.53 108.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -131.96 122.63 3.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.482 1.78 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 17.8 t -158.88 160.4 36.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.5 m -88.27 -58.44 2.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -173.07 138.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 159.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.047 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.11 -178.23 30.3 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.8 m 62.98 149.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -173.16 167.44 4.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.037 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.56 159.66 8.02 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.501 1.125 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.1 Cg_endo -75.01 154.07 42.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.967 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.2 Cg_endo -75.0 -22.67 14.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.498 1.789 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 44.08 68.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 129' ' ' THR . 15.1 t -158.16 -179.42 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.682 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 -106.26 133.19 20.34 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.273 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.529 1.805 . . . . 0.0 111.036 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.665 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.4 m 18.42 91.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.402 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -56.4 -33.03 65.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.982 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -133.01 171.72 8.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.574 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -74.96 -20.51 16.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -59.05 -51.81 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.663 ' CD ' HD12 ' A' ' 130' ' ' LEU . 26.9 mm-40 -50.27 -41.0 49.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD11 ' CG ' ' A' ' 47' ' ' PHE . 7.0 tp -68.41 -25.12 64.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.9 -19.64 54.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -74.5 -33.71 62.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 133' ' ' ILE . 5.0 m -106.13 9.55 9.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' CD ' ' O ' ' A' ' 106' ' ' GLN . 40.8 ttp85 -73.92 92.01 2.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.009 HD13 HD21 ' A' ' 30' ' ' LEU . 4.7 mt -44.47 152.03 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -120.2 130.82 54.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.973 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -37.56 -50.23 1.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.408 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 18.2 m-70 -51.4 -57.96 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 6.8 mtmt -52.05 -43.83 63.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.009 HD21 HD13 ' A' ' 25' ' ' LEU . 60.1 mt -61.01 -45.74 93.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -26.14 65.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -88.85 -50.63 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.959 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.5 m0 -68.05 -15.82 63.76 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.39 -17.45 64.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.301 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 34.9 t60 -109.59 4.75 22.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 18.3 mmm -97.71 160.04 29.55 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -47.09 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -83.79 45.4 1.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.674 ' O ' HG22 ' A' ' 43' ' ' VAL . 50.9 t80 -77.55 -69.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.507 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -62.52 -21.23 65.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.18 -34.87 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 43' ' ' VAL . 87.1 m -89.68 -68.06 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 25' ' ' LEU . 15.5 m -35.94 -36.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 42' ' ' THR . 6.2 m -66.67 108.12 2.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.41 -19.89 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.815 ' SG ' HD11 ' A' ' 140' ' ' ILE . 58.6 m -89.79 164.98 14.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.593 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 26.7 m-85 -110.88 144.79 39.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.716 ' CG1' HD11 ' A' ' 66' ' ' ILE . 20.9 m -132.32 145.07 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -90.92 121.82 33.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.5 tp -100.58 141.59 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.84 81.08 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.896 HD11 HG12 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -43.97 -34.28 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 0.771 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 171.79 168.49 33.4 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -155.28 96.83 1.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 173.27 71.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.57 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -178.75 67.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.076 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.82 -66.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.71 165.31 14.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 172.71 15.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.896 HG12 HD11 ' A' ' 52' ' ' ILE . 1.4 t -141.75 112.44 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -131.35 158.9 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.742 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.2 OUTLIER -141.37 129.03 21.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.515 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 46.6 t -78.79 144.89 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.162 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -154.56 162.5 41.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.473 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 66.7 tt0 -121.01 130.59 53.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.716 HD11 ' CG1' ' A' ' 48' ' ' VAL . 34.2 mt -66.9 113.2 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.515 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.5 p -99.21 4.02 46.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.16 -173.93 33.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 68.9 t -131.51 123.15 51.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.775 HG22 ' O ' ' A' ' 86' ' ' GLY . 23.1 m -98.46 -179.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -131.74 117.57 18.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 49.3 p -86.22 178.86 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.61 -32.01 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -97.54 146.54 25.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.853 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.7 t -108.58 146.99 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 20.0 p90 -137.0 158.3 44.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -69.98 152.19 44.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.285 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.624 ' O ' HG22 ' A' ' 81' ' ' THR . 14.4 tp -153.46 86.15 1.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.7 20.76 70.5 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.07 -39.14 2.75 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.15 146.45 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 0.789 . . . . 0.0 110.398 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HD3' HG12 ' A' ' 75' ' ' VAL . 4.6 mtt85 -103.25 113.72 27.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.47 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.8 t -113.02 168.22 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.853 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.5 p-10 -140.53 16.26 2.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -93.87 128.89 40.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.775 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.65 117.6 5.92 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.657 HD12 HG21 ' A' ' 103' ' ' VAL . 8.6 mt -65.45 118.03 8.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.48 96.18 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.549 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.1 mt -104.94 130.38 53.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.515 ' HB3' HG21 ' A' ' 67' ' ' THR . 10.2 ptt180 -110.31 162.73 14.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.514 ' CE1' ' HB2' ' A' ' 119' ' ' ALA . 78.4 t60 -143.06 124.19 14.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.567 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.438 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 56.58 -96.0 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -128.17 18.81 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.61 153.2 37.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -115.72 129.23 56.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 89' ' ' LEU . 3.6 ttt180 -119.67 -177.43 3.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 36.2 t -149.26 130.34 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.544 ' CD2' HG12 ' A' ' 50' ' ' ILE . 90.2 m-85 -131.82 -171.98 2.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.559 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 96.9 mtt180 -120.46 160.01 23.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -67.58 -28.54 67.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -64.63 -29.96 70.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.566 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.6 m-30 -86.93 -25.56 24.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.99 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.657 HG21 HD12 ' A' ' 87' ' ' LEU . 53.8 t -63.78 141.58 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -110.47 176.1 5.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -134.21 64.9 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' CD ' ' A' ' 24' ' ' ARG . 1.6 mp0 -116.63 177.92 4.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.54 113.36 25.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.515 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -40.89 134.74 1.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.7 t -105.48 147.64 28.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -40.75 -56.13 2.24 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.2 m -41.85 -73.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -43.53 -62.03 1.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.5 t80 -39.51 -51.13 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.9 mmt -71.26 -35.27 71.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmmm -64.96 -47.09 78.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.453 ' CH2' HD22 ' A' ' 127' ' ' LEU . 2.5 t90 -65.67 -45.85 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.18 -48.42 17.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -39.81 -52.47 2.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.514 ' HB2' ' CE1' ' A' ' 91' ' ' HIS . . . -53.41 -44.55 68.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.789 ' HE2' HD23 ' A' ' 127' ' ' LEU . 29.9 mmm -67.02 -39.37 87.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -67.88 -36.75 80.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.07 -39.86 63.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.04 -2.31 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.66 29.9 64.85 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.0 -172.61 2.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 111.026 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.496 ' O ' ' CE ' ' A' ' 120' ' ' MET . 81.0 mt-30 -126.43 152.51 46.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.8 -173.74 0.37 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' CD ' ' CB ' ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.08 121.47 6.57 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 0.9 OUTLIER -68.83 138.61 54.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.358 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.682 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.5 mm? -38.34 -36.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -63.45 -60.14 3.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.54 -40.35 51.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.665 HD11 ' CG1' ' A' ' 14' ' ' VAL . 3.1 mm -55.81 -60.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -59.18 -57.7 11.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.2 mtpt -47.31 -52.05 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.2 tppt? -62.16 -55.68 26.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -38.49 -61.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 138' ' ' LEU . 3.4 mm? -44.16 -49.33 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.97 -45.22 41.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.815 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.74 -57.1 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.1 -60.81 1.5 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -58.03 -63.1 1.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 140' ' ' ILE . . . 45.45 61.79 2.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.44 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 110.004 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -144.25 156.71 26.88 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 65.59 6.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.795 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.98 145.53 31.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 131.62 39.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.444 1.09 . . . . 0.0 111.037 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -175.23 120.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -144.84 164.82 29.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.987 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.48 171.95 43.87 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -174.07 173.35 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 110.025 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 t -168.67 167.03 11.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.006 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 150.95 22.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.465 1.103 . . . . 0.0 111.047 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.1 Cg_endo -75.05 129.41 12.27 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.774 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.2 Cg_endo -75.01 91.19 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 111.029 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.39 83.6 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.16 -163.02 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.96 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.952 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -115.43 133.19 22.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.936 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.1 Cg_endo -75.01 105.93 2.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.481 1.78 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 24.62 88.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -56.18 -31.72 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.56 172.87 6.27 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.541 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -75.01 -11.79 21.47 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -67.81 -51.44 48.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 69.6 mm-40 -51.51 -36.65 45.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.6 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.4 tp -73.32 -18.25 61.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -88.13 -18.28 29.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -71.69 -34.16 69.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 133' ' ' ILE . 3.7 m -101.94 10.44 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 57.2 ttp85 -75.95 120.33 21.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.861 HD11 ' HA ' ' A' ' 43' ' ' VAL . 28.3 mt -75.8 -178.54 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -147.68 132.65 18.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG2' HD11 ' A' ' 78' ' ' LEU . 4.0 ttp-105 -34.32 -44.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -56.0 -63.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.591 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -46.07 -44.38 15.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 ' O ' ' CB ' ' A' ' 34' ' ' CYS . 39.4 mt -64.27 -45.44 88.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.524 ' OE1' HG21 ' A' ' 81' ' ' THR . 0.5 OUTLIER -59.95 -20.91 60.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -96.49 -50.95 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.688 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.7 m0 -67.34 -16.13 64.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.9 t -68.21 -17.57 64.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' SD ' ' A' ' 36' ' ' MET . 8.2 p80 -114.75 20.26 15.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.548 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.558 ' SD ' ' CE1' ' A' ' 35' ' ' HIS . 22.6 mmm -135.17 164.13 46.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.651 ' O ' ' CG ' ' A' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 -174.59 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.651 ' CG ' ' O ' ' A' ' 37' ' ' PRO . 40.2 p90 43.93 21.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 43' ' ' VAL . 72.3 t80 -67.18 -69.73 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' ' 69' ' ' VAL . . . -61.9 -23.0 66.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.162 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -77.06 -36.77 55.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 44' ' ' THR . 49.4 m -83.1 -70.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.861 ' HA ' HD11 ' A' ' 25' ' ' LEU . 12.8 m -36.75 -33.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' THR . 1.8 m -67.31 113.47 5.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 114.97 -2.31 22.82 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.476 1.11 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.568 ' SG ' HD11 ' A' ' 140' ' ' ILE . 74.2 m -97.0 -171.48 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.612 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 33.0 m-85 -139.51 130.45 26.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 29.1 m -126.82 153.46 35.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.491 ' HG3' ' CE1' ' A' ' 108' ' ' PHE . 2.8 mtp180 -89.98 118.01 29.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.73 149.8 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -104.25 113.0 4.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.719 HG21 ' HG3' ' A' ' 62' ' ' ARG . 2.4 pt -90.75 -28.57 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 0.771 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.426 ' N ' HG13 ' A' ' 52' ' ' ILE . . . -137.5 136.23 8.1 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -143.71 84.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -125.1 179.86 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.4 -64.49 0.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.228 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.01 179.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.037 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.03 146.42 0.64 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -175.94 2.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.502 1.79 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' N ' ' A' ' 53' ' ' GLY . 2.4 t -141.52 112.31 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -125.25 146.31 49.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.719 ' HG3' HG21 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -135.98 127.8 29.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG13 ' CZ ' ' A' ' 108' ' ' PHE . 48.7 t -57.58 138.09 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.08 135.96 26.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -101.83 134.96 44.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.1 mt -72.7 123.41 27.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.9 p -110.53 -5.43 15.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.38 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.96 -174.51 37.59 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.437 ' HB ' ' CB ' ' A' ' 40' ' ' ALA . 78.6 t -133.8 119.77 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.545 HG22 ' O ' ' A' ' 86' ' ' GLY . 28.5 m -98.16 176.45 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -121.59 152.61 39.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.2 p -127.78 176.76 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.54 -30.25 11.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -91.73 146.77 23.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.909 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.1 t -114.49 147.21 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.571 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 27.7 p90 -136.34 156.17 49.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 111.021 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -70.75 154.17 42.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 81' ' ' THR . 12.6 tp -154.43 91.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.38 13.59 50.61 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.87 -41.28 1.68 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.524 HG21 ' OE1' ' A' ' 31' ' ' GLU . 13.8 t -84.34 145.11 28.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.536 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -104.37 113.2 26.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -113.82 167.18 10.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.909 ' HB3' HG22 ' A' ' 75' ' ' VAL . 9.6 p-10 -140.94 45.0 1.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -116.3 118.52 32.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.21 115.22 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 103' ' ' VAL . 4.9 mt -69.83 113.03 6.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.506 HE21 HG13 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.38 98.59 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.276 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.803 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.5 mt -104.84 148.35 26.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.4 OUTLIER -129.71 119.57 23.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -109.73 99.38 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.562 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.89 -130.69 10.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -94.69 18.4 11.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.4 147.47 49.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -108.61 153.98 22.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 4.9 mtt180 -143.96 175.52 9.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.3 t -148.79 107.89 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 92.4 m-85 -115.25 -168.93 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.571 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 40.5 mtt180 -119.8 163.88 16.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.579 1.175 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.99 -34.79 76.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.574 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.8 pt-20 -59.02 -39.04 80.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -80.04 -6.61 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 87' ' ' LEU . 7.7 t -89.02 105.56 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -103.08 114.69 29.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 0.2 OUTLIER -39.18 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.479 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 52.69 -172.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.356 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -132.29 119.17 20.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.497 ' CZ ' HG13 ' A' ' 63' ' ' VAL . 9.3 m-85 -44.53 136.12 4.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.56 HG23 ' H ' ' A' ' 112' ' ' GLU . 10.5 t -107.44 137.29 45.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.095 . . . . 0.0 110.378 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -38.2 -47.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -47.19 -67.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.56 ' H ' HG23 ' A' ' 109' ' ' THR . 48.9 mt-10 -56.06 -55.28 34.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.541 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.9 t80 -39.59 -40.95 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 8.9 mmt -78.75 -36.97 42.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 112' ' ' GLU . 10.3 mmtp -61.59 -46.82 88.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.092 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.433 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 2.7 t90 -65.46 -44.71 86.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 107.995 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.8 OUTLIER -47.92 -44.68 30.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -44.18 -50.46 8.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.322 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.2 -38.13 65.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 127' ' ' LEU . 22.9 mmm -74.47 -38.41 62.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -71.19 -28.49 64.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.5 t -81.83 -45.86 14.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.946 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -72.82 -12.4 60.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 75.23 15.0 81.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.483 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 15.8 mtp -77.38 170.06 17.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.753 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 120' ' ' MET . 48.5 mt-30 -112.1 152.2 28.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -93.29 -177.45 0.7 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.612 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.1 Cg_endo -75.04 130.03 12.85 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.37 139.7 35.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.583 1.177 . . . . 0.0 110.374 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.952 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.76 -32.85 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.29 -52.08 56.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.8 mm-40 -61.07 -43.17 99.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.545 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -57.54 -45.32 86.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -65.06 -63.03 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -48.94 -39.88 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.629 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.5 tppt? -69.41 -52.5 26.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.9 tt0 -46.64 -61.43 1.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.0 mm? -44.37 -46.79 9.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.37 -44.11 62.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.688 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.72 -53.27 49.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.406 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.3 mppp? -48.17 -63.21 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -40.84 -52.45 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -41.07 -65.18 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 12.5 p -54.4 167.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.15 -94.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.52 29.17 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 110.997 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 21.6 p -134.4 116.27 14.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 29.6 t -147.78 -57.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.0 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -174.58 170.43 3.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -178.5 163.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.426 1.079 . . . . 0.0 109.978 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.67 -111.99 0.54 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t 62.1 126.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.783 . . . . 0.0 110.069 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.66 154.76 4.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 131.76 1.32 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.467 1.105 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -74.97 132.82 15.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.526 1.803 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.2 Cg_endo -75.02 112.25 3.52 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -172.53 94.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.86 -164.84 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.978 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.924 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.1 OUTLIER -113.7 132.46 22.57 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.938 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.93 104.35 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 1.0 OUTLIER 22.69 89.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.32 -30.92 61.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.041 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.3 172.27 7.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.95 -23.9 13.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -53.72 -56.14 20.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 50.4 mm-40 -48.27 -43.22 32.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD11 ' CD2' ' A' ' 47' ' ' PHE . 7.5 tp -65.02 -27.84 69.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.8 m-20 -76.58 -26.59 55.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -67.09 -25.38 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.625 HG21 HD13 ' A' ' 133' ' ' ILE . 16.6 m -118.84 14.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 41.7 ttp85 -83.9 90.86 7.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.112 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 5.8 mt -48.54 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 35.9 p -129.0 136.12 49.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 8.0 ttp-105 -36.4 -41.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -53.67 -65.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.617 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -50.89 -45.92 60.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.698 HD21 HD13 ' A' ' 25' ' ' LEU . 55.0 mt -57.52 -50.26 73.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -21.37 9.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -96.54 -48.94 5.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.112 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 11.6 m0 -67.72 -15.99 63.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 107.978 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 t -66.91 -14.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 108.254 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -112.05 9.81 20.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.584 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 40.5 mmm -108.36 160.39 27.25 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.1 Cg_endo -75.06 -49.27 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.468 1.773 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -79.12 49.56 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.782 ' O ' HG22 ' A' ' 43' ' ' VAL . 76.1 t80 -86.54 -69.1 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.047 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -53.9 -45.93 71.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.15 -49.32 74.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.8 m -69.06 -72.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.38 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.782 HG22 ' O ' ' A' ' 39' ' ' PHE . 25.0 m -35.36 -37.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.1 m -62.2 105.86 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.382 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.97 -26.81 7.01 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 140' ' ' ILE . 66.5 m -75.37 166.42 23.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 16.0 m-85 -118.15 150.26 39.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.518 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.3 m -142.48 154.99 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 104' ' ' SER . 0.0 OUTLIER -96.98 124.34 40.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.608 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -100.53 145.05 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -111.06 74.26 0.21 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.917 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -38.28 -42.35 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.541 0.789 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 171.35 -162.21 34.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.129 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -144.72 87.45 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -97.33 139.83 32.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.604 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.94 174.18 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.99 -71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -54.76 140.81 58.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.29 1.21 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.554 1.818 . . . . 0.0 111.038 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.917 HG12 HD11 ' A' ' 52' ' ' ILE . 3.7 t -144.76 132.51 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.406 ' N ' HD11 ' A' ' 52' ' ' ILE . 35.9 m-85 -150.92 165.12 34.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.608 ' O ' HG22 ' A' ' 50' ' ' ILE . 40.3 mtp85 -151.42 140.25 20.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.78 HG13 ' CE1' ' A' ' 108' ' ' PHE . 46.6 t -87.09 140.58 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.04 157.14 44.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.084 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -117.84 133.14 56.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' HB ' ' A' ' 43' ' ' VAL . 35.4 mt -69.57 127.81 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.613 HG21 ' HB2' ' A' ' 90' ' ' ARG . 10.5 p -115.18 6.89 15.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 151.27 179.37 26.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 40' ' ' ALA . 77.5 t -125.59 121.19 59.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.748 HG22 ' O ' ' A' ' 86' ' ' GLY . 22.8 m -98.65 -178.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.5 pt-20 -132.7 121.65 23.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.4 p -94.73 175.8 6.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.41 -32.82 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -94.16 151.27 19.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 84' ' ' ASN . 30.5 t -116.62 150.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.575 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.1 p90 -134.61 163.46 29.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.03 144.56 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.321 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 81' ' ' THR . 57.4 tp -136.58 67.33 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.1 31.19 71.98 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.115 . . . . 0.0 110.994 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.01 -49.23 0.89 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 78' ' ' LEU . 12.9 t -83.38 142.34 31.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 0.738 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.491 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -104.15 113.64 27.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.523 HG22 ' CE1' ' A' ' 76' ' ' TYR . 15.3 t -111.81 168.75 9.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.366 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.847 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.8 p-10 -139.31 16.27 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.401 ' HE3' ' CG1' ' A' ' 69' ' ' VAL . 8.8 mtpp -89.19 114.74 26.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.748 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.61 113.71 3.96 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.645 HD12 HG21 ' A' ' 103' ' ' VAL . 6.0 mt -67.49 114.73 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.592 HE21 HG13 ' A' ' 70' ' ' VAL . 1.3 tt0 -77.23 95.74 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.648 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.4 mt -99.94 142.87 30.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.613 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.6 ttm-85 -117.32 130.98 56.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -117.64 102.32 9.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 65.33 -129.9 34.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.73 15.93 10.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.3 143.24 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -100.86 158.87 15.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.46 ' O ' HG23 ' A' ' 97' ' ' VAL . 9.5 mtt180 -147.27 179.28 7.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.348 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 96' ' ' ARG . 44.1 t -154.13 107.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 50' ' ' ILE . 88.4 m-85 -112.13 -171.06 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.575 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 83.4 mtt180 -119.89 159.19 25.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.7 mp -59.4 -36.73 76.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 11.6 pt-20 -57.39 -32.13 66.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 16.1 m-30 -90.32 -13.71 34.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.645 HG21 HD12 ' A' ' 87' ' ' LEU . 4.3 t -74.4 99.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -53.01 160.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -123.89 36.74 4.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.496 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 1.7 mp0 -111.88 166.22 11.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.6 140.72 30.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.78 ' CE1' HG13 ' A' ' 63' ' ' VAL . 10.6 m-85 -58.05 122.87 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 p -77.78 175.73 9.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.386 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.46 -23.98 56.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 20.0 m -79.0 -70.07 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 10.4 mm-40 -37.78 -62.32 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 28.4 t80 -38.56 -44.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.5 mmt -76.19 -41.91 48.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -59.5 -44.18 93.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 3.9 t90 -66.69 -47.91 70.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 108.031 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.45 -47.93 9.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -41.88 -51.03 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.88 -45.66 71.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.691 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.8 mmm -66.3 -41.04 90.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -68.87 -35.84 77.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -72.54 -38.24 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.399 1.062 . . . . 0.0 110.002 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.57 9.38 16.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 47.88 39.12 17.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.144 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.67 -171.53 2.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 0.741 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.42 ' O ' ' CE ' ' A' ' 120' ' ' MET . 37.5 mt-30 -127.77 142.96 51.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.938 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -88.76 -179.33 1.25 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 130.67 13.52 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.8 OUTLIER -79.89 140.2 36.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.425 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.924 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.59 -31.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 129' ' ' THR . 6.9 t0 -66.88 -56.42 10.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -56.07 -29.19 60.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.625 HD13 HG21 ' A' ' 23' ' ' VAL . 2.4 mm -69.52 -53.44 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -63.08 -53.89 46.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 135' ' ' LYS . 0.0 OUTLIER -52.61 -41.85 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.59 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.7 tppt? -70.94 -51.85 23.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.34 -59.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -46.06 -48.64 16.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.74 -43.41 47.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.024 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.862 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.4 mp -63.87 -53.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -51.14 24.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -52.25 -53.87 38.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -42.55 -52.16 4.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.89 167.53 5.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 82.76 85.35 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 96.99 1.04 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.3 t -127.75 149.33 50.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 5.2 t -111.51 -56.57 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.508 1.13 . . . . 0.0 110.952 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.61 125.16 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -168.05 172.02 9.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.12 -174.08 29.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.41 156.64 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -170.08 166.4 9.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.56 130.2 2.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 159.41 41.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.479 1.779 . . . . 0.0 111.003 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 95.35 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.58 72.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 m -160.93 158.78 28.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.033 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.967 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.3 tt0 -118.47 144.08 34.53 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.917 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 151.48 39.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.451 1.764 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.788 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -37.14 101.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.434 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -85.6 -2.87 58.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.678 HD13 ' H ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -145.35 161.36 41.89 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -9.07 20.58 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.2 mt-10 -68.87 -69.9 0.3 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.678 ' H ' HD13 ' A' ' 16' ' ' LEU . 51.5 mm-40 -42.03 -50.06 4.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 20' ' ' LEU . 16.6 tp -61.8 -38.92 89.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.3 m-20 -61.43 -26.5 67.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 49.5 mtp180 -63.43 -48.16 78.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 133' ' ' ILE . 32.9 m -89.41 24.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -82.82 92.34 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.906 HD11 ' HA ' ' A' ' 43' ' ' VAL . 12.6 mt -51.42 163.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.5 p -136.73 134.73 37.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -39.33 -48.81 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -45.7 -62.66 1.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.582 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -50.57 -56.99 9.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 25' ' ' LEU . 68.7 mt -48.77 -45.58 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -23.12 58.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.27 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 1.4 mtt180 -97.44 -49.36 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.555 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.9 m0 -66.93 -18.29 65.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -63.31 -16.41 60.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 108.279 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 1.6 p-80 -111.19 5.31 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.604 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.462 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 39.4 mmm -100.09 160.74 26.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.62 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.514 1.797 . . . . 0.0 110.996 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -79.67 48.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.499 ' O ' HG22 ' A' ' 43' ' ' VAL . 71.7 t80 -82.83 -74.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -50.86 -46.01 60.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.56 -52.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 44' ' ' THR . 94.3 m -65.42 -72.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.906 ' HA ' HD11 ' A' ' 25' ' ' LEU . 11.4 m -35.96 -35.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.4 m -66.1 111.92 3.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.23 9.95 16.64 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.458 1.099 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.428 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 9.3 m -119.11 -179.39 3.82 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.1 m-85 -130.55 138.3 50.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' A' ' 25' ' ' LEU . 34.4 m -121.24 152.35 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' NH1' ' OE2' ' A' ' 112' ' ' GLU . 0.1 OUTLIER -90.25 104.89 17.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.58 HG12 ' CD2' ' A' ' 98' ' ' PHE . 3.1 tp -100.66 149.09 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.64 104.1 1.07 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.045 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -44.55 -88.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.257 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.84 108.66 0.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -116.27 102.89 9.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -106.13 -64.71 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.566 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -114.23 169.8 8.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 53.83 176.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.011 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.52 155.2 0.23 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -178.52 4.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.495 1.787 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.045 HG22 HD11 ' A' ' 52' ' ' ILE . 8.0 p -143.52 144.83 23.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -152.06 144.84 24.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 111.046 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.526 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.7 mmp_? -130.08 126.74 38.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 128.74 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -128.66 162.37 27.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.501 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.9 tt0 -120.77 131.6 54.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 25' ' ' LEU . 10.4 mt -73.62 120.34 22.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -106.67 -5.79 18.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 162.11 -169.28 37.43 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.541 HG11 ' HD2' ' A' ' 85' ' ' LYS . 60.4 t -135.45 132.24 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.477 0.751 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.0 m -107.44 -176.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 128.03 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.6 p -100.24 -177.13 3.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.11 -30.09 8.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.25 149.97 22.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.761 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.4 t -114.69 143.82 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 11.0 p90 -134.17 168.02 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -82.34 144.76 30.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' THR . 39.8 tp -133.64 62.87 1.64 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 64.24 33.25 86.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 130.83 -61.45 0.66 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 78' ' ' LEU . 5.9 t -82.9 148.57 27.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.786 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.562 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -112.92 114.27 26.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 76' ' ' TYR . 14.9 t -113.91 146.09 40.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.442 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.761 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.3 p-10 -111.36 35.32 3.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.541 ' HD2' HG11 ' A' ' 69' ' ' VAL . 8.7 mtmm -102.82 157.14 17.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -123.76 125.49 5.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.838 HD12 HG21 ' A' ' 103' ' ' VAL . 9.3 mt -78.99 112.76 16.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -78.41 96.44 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.663 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.3 mt -101.24 158.47 16.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.511 ' HB2' HG21 ' A' ' 67' ' ' THR . 6.8 ttm-85 -135.68 125.88 26.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -115.48 102.52 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.425 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 69.45 -119.33 9.21 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.466 1.103 . . . . 0.0 110.993 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -104.23 19.56 19.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 0.785 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.05 135.05 47.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -94.42 160.79 14.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.2 mtt-85 -148.12 178.81 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 96' ' ' ARG . 38.9 t -152.86 102.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 50' ' ' ILE . 89.4 m-85 -108.1 -170.64 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.555 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 84.5 mtt85 -120.09 165.39 14.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 100' ' ' LEU . 7.9 mp -66.19 -37.54 85.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.8 pt-20 -52.25 -40.99 62.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.7 m-85 -80.52 -27.37 37.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.838 HG21 HD12 ' A' ' 87' ' ' LEU . 7.0 t -59.39 99.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -73.37 163.13 28.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -125.8 84.11 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -147.13 166.77 25.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.1 139.42 38.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -65.61 124.96 23.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.0 p -74.38 150.29 40.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -56.61 -26.64 56.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.425 ' OG ' ' NZ ' ' A' ' 115' ' ' LYS . 6.4 t -79.37 -65.32 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.0 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.503 ' CG ' ' N ' ' A' ' 113' ' ' PHE . 5.6 pt-20 -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.504 ' CZ ' ' C ' ' A' ' 16' ' ' LEU . 26.9 t80 -55.53 -35.08 65.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.1 mmt -85.16 -43.64 13.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 12.9 mptt -54.3 -39.61 67.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 t90 -68.87 -47.04 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 108.041 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -48.42 -43.52 34.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.29 -48.35 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.43 -46.82 83.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.522 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.1 mmm -65.33 -40.07 93.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -68.98 -39.21 79.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.8 t -69.27 -38.86 78.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.71 -0.57 38.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 58.18 32.1 66.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.425 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -90.57 -173.67 3.84 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.443 ' O ' ' HE1' ' A' ' 120' ' ' MET . 14.8 mt-30 -125.25 147.0 49.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.917 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -94.22 -175.19 0.45 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.0 132.25 15.21 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.2 p -81.57 138.75 35.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.967 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.1 mm? -40.4 -42.79 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -49.65 67.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.7 OUTLIER -65.21 -45.84 83.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 14' ' ' VAL . 2.0 mm -50.26 -59.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -56.78 -64.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -42.66 -57.33 2.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.085 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.8 tppt? -51.93 -61.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 5.7 tp10 -43.06 -56.8 3.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.6 OUTLIER -44.91 -31.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -70.23 -40.8 74.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.555 HG23 ' CH2' ' A' ' 33' ' ' TRP . 1.8 mp -59.16 -46.71 91.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.93 -60.08 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 143' ' ' ALA . 70.9 mt-10 -57.55 -48.04 80.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 110.369 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 142' ' ' GLU . . . -40.43 -65.6 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.5 t -60.7 -154.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.07 . . . . 0.0 109.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -149.43 90.71 0.14 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.42 0.63 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.521 1.8 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.3 t -162.17 111.58 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 23.2 t -81.83 153.72 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.82 161.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.65 166.03 1.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.83 108.45 0.48 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 m -167.54 161.76 13.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 t -178.36 171.59 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.08 165.15 32.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 136.28 20.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.557 1.819 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 88.74 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -133.43 111.46 10.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.4 -170.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.822 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.1 tt0 -108.24 129.95 23.41 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.888 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.609 ' C ' ' O ' ' A' ' 13' ' ' PRO . 15.3 m 21.99 89.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -20.17 66.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.767 HD12 ' CD ' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -142.47 171.54 7.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.0 -10.59 21.28 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 16' ' ' LEU . 2.9 mt-10 -67.02 -59.42 3.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.767 ' CD ' HD12 ' A' ' 16' ' ' LEU . 1.3 mt-10 -41.0 -49.21 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.754 HD11 ' CD1' ' A' ' 47' ' ' PHE . 9.5 tp -62.35 -41.21 98.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.0 m-20 -58.32 -22.42 53.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -71.3 -33.58 69.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.263 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 5.6 m -110.17 14.13 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' NH2' ' CG ' ' A' ' 107' ' ' GLU . 6.5 tmm_? -77.27 95.34 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 43' ' ' VAL . 10.9 mt -56.01 156.15 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.1 p -123.55 138.02 54.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' SER . 16.6 ttp180 -37.4 -56.91 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -46.07 -67.13 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 20.5 mttp -41.67 -48.12 4.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 34' ' ' CYS . 21.0 mt -59.7 -65.76 0.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.7 OUTLIER -36.08 -32.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 mtt85 -81.03 -51.63 8.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.632 ' HH2' HG23 ' A' ' 140' ' ' ILE . 9.8 m0 -67.76 -17.37 64.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 108.026 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -64.88 -11.7 40.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 108.316 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -113.93 7.83 17.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.608 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.5 mmm -104.46 160.43 26.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 36' ' ' MET . 18.3 Cg_endo -74.99 -51.79 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -81.51 46.27 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.762 ' CE1' HG11 ' A' ' 43' ' ' VAL . 11.0 t80 -82.29 -71.92 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.687 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.44 -53.88 12.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -57.26 5.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' VAL . 99.4 m -57.84 -74.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.762 HG11 ' CE1' ' A' ' 39' ' ' PHE . 12.9 m -39.12 -45.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.538 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.9 m -52.12 105.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.406 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.09 -15.45 8.84 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.79 ' SG ' HD11 ' A' ' 140' ' ' ILE . 88.8 m -90.03 174.45 7.65 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 20' ' ' LEU . 37.1 m-85 -120.16 144.09 47.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.406 HG11 HD11 ' A' ' 66' ' ' ILE . 33.5 m -135.66 145.73 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' NH1' ' CG ' ' A' ' 61' ' ' TYR . 5.2 ttp85 -89.04 112.65 23.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.85 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -99.87 149.84 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.75 106.37 1.21 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.537 1.148 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.054 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -52.9 -99.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 0.788 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.53 -129.54 3.66 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -173.21 157.31 3.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.535 0.786 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.09 172.26 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.583 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -85.57 75.7 10.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 33.7 t -179.77 -71.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.022 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.0 163.14 42.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -173.49 1.58 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.513 1.796 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.054 HG22 HD11 ' A' ' 52' ' ' ILE . 11.4 p -155.71 140.91 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.503 ' CG ' ' NH1' ' A' ' 49' ' ' ARG . 29.2 m-85 -152.83 144.81 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.85 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.5 mmp_? -129.01 127.18 41.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 108' ' ' PHE . 54.9 t -78.59 131.47 34.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -134.84 166.34 23.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.53 128.77 53.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.547 HD13 ' HB ' ' A' ' 43' ' ' VAL . 40.1 mt -64.76 112.33 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.41 1.069 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.6 p -97.9 2.59 49.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.46 -176.49 32.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.687 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 70.5 t -130.26 120.08 48.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.78 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.73 169.45 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -114.96 142.7 46.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.0 p -114.33 173.79 6.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.02 -32.74 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 mttm -96.86 141.96 29.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.932 HG22 ' HB3' ' A' ' 84' ' ' ASN . 40.8 t -106.94 148.95 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 34.2 p90 -136.17 156.0 49.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.56 150.69 46.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 110.366 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.574 ' CD2' HD22 ' A' ' 100' ' ' LEU . 9.2 tp -154.39 91.96 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 63.74 20.55 64.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.12 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.48 -39.97 2.59 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 78' ' ' LEU . 5.1 t -83.94 146.74 27.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 0.4 OUTLIER -106.36 112.27 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.0 t -113.31 166.35 11.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.932 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.4 p-10 -140.46 40.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.8 mtpp -114.01 117.55 31.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.514 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -86.82 120.06 5.36 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.827 HD12 HG21 ' A' ' 103' ' ' VAL . 6.4 mt -71.25 114.48 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.373 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -77.5 97.15 4.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.54 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.9 mt -103.54 158.85 16.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.437 ' HB2' HG21 ' A' ' 67' ' ' THR . 13.0 ttm180 -140.22 125.14 18.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -110.22 130.37 55.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.41 -108.92 1.0 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -119.49 22.44 11.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 0.779 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.46 150.39 47.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 153.02 20.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 6.6 mtt-85 -144.96 176.93 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 64.8 t -151.44 108.54 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.545 ' CD2' HG12 ' A' ' 50' ' ' ILE . 82.8 m-85 -113.41 -171.08 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.488 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 34.5 mtt-85 -116.9 174.58 6.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 34' ' ' CYS . 7.1 mp -71.27 -33.01 69.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 13.3 pt-20 -60.23 -39.91 88.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.5 m-30 -76.98 -19.96 56.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.827 HG21 HD12 ' A' ' 87' ' ' LEU . 7.6 t -72.34 103.51 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.4 173.96 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 109.993 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -119.25 -40.05 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -44.11 166.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' CG ' ' NH2' ' A' ' 24' ' ' ARG . 8.9 mt-10 -81.62 167.42 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.45 ' CE1' HG22 ' A' ' 63' ' ' VAL . 4.8 m-85 -75.07 133.24 41.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 112' ' ' GLU . 5.7 t -101.38 146.72 27.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' SER . 39.6 tt0 -47.48 -55.15 9.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' GLU . 51.0 m -39.54 -72.8 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 0.4 OUTLIER -49.38 -59.5 3.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 34.4 t80 -38.54 -37.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.9 mmt -81.6 -44.5 17.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 111.059 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 115' ' ' LYS . 3.8 mptt -54.99 -42.39 72.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -67.5 -49.9 61.35 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -43.76 -48.73 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -42.04 -51.14 4.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.31 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.87 ' HE2' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.81 -39.81 83.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -69.44 -37.9 77.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -72.56 -38.76 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.94 -1.14 42.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.88 37.57 85.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.58 -174.79 3.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.516 ' O ' ' CE ' ' A' ' 120' ' ' MET . 14.1 mt-30 -124.33 148.44 47.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.888 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.7 -176.41 0.61 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.602 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.7 p -85.86 139.14 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.389 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.822 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -43.87 -28.84 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.4 -48.52 69.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.5 mt-10 -68.6 -48.86 63.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.538 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.1 mm -46.12 -55.2 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -58.14 -56.44 22.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.236 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.07 -51.39 24.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.526 ' O ' HD12 ' A' ' 140' ' ' ILE . 14.6 tppt? -61.66 -56.18 22.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 136' ' ' LYS . 32.2 tt0 -37.66 -61.98 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.486 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.9 mm? -43.9 -50.33 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.59 -41.0 29.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.79 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.1 mp -69.08 -44.37 81.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.486 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.6 OUTLIER -55.46 -62.7 1.51 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -42.77 -49.61 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -44.18 -60.73 1.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 61.5 p -74.82 162.17 28.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.12 166.1 12.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.542 1.812 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 73.2 m -97.75 163.9 12.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.045 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.88 161.34 42.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t 66.57 -72.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 110.015 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER 71.97 79.39 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.4 -166.88 1.04 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.457 1.098 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.5 p -159.79 169.53 23.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.767 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 p -171.86 155.49 3.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.981 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.92 176.63 18.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 127.38 10.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.92 9.28 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.0 146.65 33.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.407 ' HB3' ' HB ' ' A' ' 129' ' ' THR . 0.6 OUTLIER -170.28 -168.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.969 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.448 ' O ' ' HG ' ' A' ' 130' ' ' LEU . 4.1 tt0 -114.34 129.49 24.84 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.935 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.97 156.39 43.11 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.791 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.4 m -39.85 97.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -67.61 -26.88 66.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.071 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.64 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.1 OUTLIER -135.17 170.11 12.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.45 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.94 -7.38 19.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.2 mt-10 -65.02 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.64 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.5 mt-10 -44.7 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.331 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.655 HD11 ' CG ' ' A' ' 47' ' ' PHE . 8.3 tp -63.06 -36.4 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.8 m-20 -63.46 -26.85 68.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 19.6 mtp85 -66.76 -51.91 50.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' A' ' 133' ' ' ILE . 25.4 m -89.37 16.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 108' ' ' PHE . 31.6 ttp85 -80.37 88.18 5.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 HD21 ' A' ' 30' ' ' LEU . 7.9 mt -46.65 165.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ARG . 60.5 p -135.75 137.51 41.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' SER . 12.8 ttp180 -36.32 -58.04 0.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -46.56 -64.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.623 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -42.7 -49.47 5.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.859 HD21 HD13 ' A' ' 25' ' ' LEU . 37.2 mt -58.94 -54.41 47.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -48.53 -28.84 3.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.344 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -85.61 -50.56 7.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.315 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.813 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 13.8 m0 -67.24 -14.67 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 107.986 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -66.57 -17.41 64.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 108.293 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 6.8 p80 -108.15 12.45 26.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.498 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 50.9 mmm -111.17 159.22 33.57 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -54.18 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -77.21 50.67 0.78 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 43' ' ' VAL . 74.2 t80 -85.1 -74.59 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.561 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -47.52 -46.3 27.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -54.69 25.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 43' ' ' VAL . 25.2 m -65.13 -73.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.741 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.9 m -34.72 -37.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -64.24 106.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.23 -15.27 8.78 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.9 m -88.92 172.64 9.01 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.655 ' CG ' HD11 ' A' ' 20' ' ' LEU . 24.0 m-85 -123.36 146.74 47.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HB ' HG13 ' A' ' 103' ' ' VAL . 28.8 m -138.97 151.57 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 105' ' ' ASN . 1.0 OUTLIER -93.78 112.28 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.572 HG12 ' CD1' ' A' ' 98' ' ' PHE . 5.7 tp -100.03 149.98 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.03 104.64 1.47 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.084 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -49.64 -87.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.78 -119.49 2.11 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 178.32 134.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.484 0.755 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.2 m170 -129.78 -78.61 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.618 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -162.08 -179.74 7.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 45.57 84.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt 58.68 158.39 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.351 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.1 39.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.084 HG22 HD11 ' A' ' 52' ' ' ILE . 9.2 p -101.74 145.02 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -153.39 150.5 28.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.0 mmp_? -132.24 127.42 35.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG23 ' HB3' ' A' ' 112' ' ' GLU . 79.3 t -76.2 125.3 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -130.73 165.57 22.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.476 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 10.3 tt0 -123.59 128.19 49.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.476 HG21 HG23 ' A' ' 43' ' ' VAL . 31.2 mt -63.55 112.29 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.568 HG21 ' HB2' ' A' ' 90' ' ' ARG . 7.6 p -96.78 -0.2 48.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.356 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 160.75 -167.85 35.98 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 69.8 t -138.61 123.95 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.733 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.4 m -100.39 -176.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.9 pt-20 -135.4 122.96 22.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 p -95.88 172.22 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.51 -35.49 14.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -95.61 150.5 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.962 HG22 ' HB3' ' A' ' 84' ' ' ASN . 42.2 t -111.72 146.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.655 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 18.1 p90 -126.3 153.89 44.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.5 145.31 50.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.434 HD11 ' HG2' ' A' ' 27' ' ' ARG . 19.7 tp -146.81 82.25 1.57 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.04 15.29 79.88 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.73 -34.26 4.44 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -84.47 148.26 26.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.698 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.1 112.4 25.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.655 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.4 t -113.91 166.47 11.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.962 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.8 p-10 -147.47 44.87 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -117.09 98.65 6.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.733 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -68.58 112.67 4.78 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.531 1.145 . . . . 0.0 111.039 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.801 HD12 HG21 ' A' ' 103' ' ' VAL . 7.6 mt -66.65 110.62 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -77.87 95.54 4.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.337 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.0 mt -101.05 154.95 18.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.568 ' HB2' HG21 ' A' ' 67' ' ' THR . 5.7 ttp180 -128.86 123.18 32.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 62' ' ' ARG . 44.8 t60 -111.74 100.34 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.579 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.489 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.29 -127.46 12.5 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -96.32 21.49 8.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.72 144.18 50.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.14 154.76 18.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.482 ' HB3' ' CE2' ' A' ' 98' ' ' PHE . 3.8 mtt-85 -141.19 169.7 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 40.2 t -142.67 101.57 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.572 ' CD1' HG12 ' A' ' 50' ' ' ILE . 95.8 m-85 -109.36 -173.19 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.582 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 21.0 mtt180 -117.89 165.65 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.78 -34.69 78.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 14.4 pt-20 -58.32 -35.63 72.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.3 m-30 -84.05 -25.78 29.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.801 HG21 HD12 ' A' ' 87' ' ' LEU . 4.5 t -60.7 94.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.16 159.51 5.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' O ' ' NH1' ' A' ' 49' ' ' ARG . 8.9 p30 -110.71 -163.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 13.6 tt0 74.51 167.09 0.29 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.432 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 12.7 pt-20 -73.3 149.04 42.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 24' ' ' ARG . 6.9 m-85 -59.64 159.36 8.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.7 p -102.25 145.56 29.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -56.6 -26.74 56.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.4 t -75.22 -69.16 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.502 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -42.37 -55.49 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.45 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.6 t80 -41.64 -66.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.2 mmt -58.21 -39.45 79.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -59.86 -39.09 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.472 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 3.7 t90 -70.29 -44.98 67.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 107.963 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.82 -47.35 31.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -42.25 -52.05 4.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.25 -45.13 72.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.909 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.7 mmm -65.72 -39.66 91.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -70.77 -37.85 73.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -37.97 76.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.37 10.41 15.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 46.64 41.71 13.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.468 1.105 . . . . 0.0 111.013 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.489 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -98.19 -174.37 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.988 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.566 ' O ' ' HE1' ' A' ' 120' ' ' MET . 72.8 mt-30 -124.64 147.06 48.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.288 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.88 -174.34 0.42 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.791 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.95 127.47 10.74 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.491 1.785 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -71.17 135.11 47.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.622 HD22 ' CD ' ' A' ' 19' ' ' GLU . 38.8 mt -42.07 -41.28 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -47.75 78.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -63.06 -45.47 92.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.48 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.7 mm -48.99 -57.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.06 -64.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.6 mttm -42.28 -59.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 139' ' ' SER . 14.9 tppt? -49.53 -60.13 3.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 140' ' ' ILE . 5.6 tp10 -41.96 -56.89 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.3 mm? -42.53 -33.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -69.84 -44.3 70.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.935 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 137' ' ' GLU . 2.1 mp -57.34 -44.86 84.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.97 -56.4 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -55.16 -52.01 64.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -41.86 -59.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.77 98.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.054 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.71 104.13 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.4 16.44 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.498 1.788 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -175.51 163.47 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.105 . . . . 0.0 109.999 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.3 p -152.24 -57.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.93 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -108.16 135.05 50.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.956 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.5 p -157.48 161.5 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.048 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.22 134.49 5.07 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -164.67 126.72 2.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.9 m -160.99 164.9 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.11 90.52 0.3 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.558 1.162 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 125.17 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.84 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt 67.75 76.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.93 -171.26 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.87 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.2 OUTLIER -104.51 131.81 21.52 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.952 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.64 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.8 m 24.91 89.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.72 -34.56 53.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -134.96 174.36 4.72 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.568 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -19.49 17.83 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 9.7 mt-10 -61.37 -49.23 77.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.675 ' CD ' HD12 ' A' ' 130' ' ' LEU . 35.6 mm-40 -50.14 -42.08 50.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.9 tp -67.19 -26.24 66.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 2.6 m-20 -78.04 -28.56 49.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 24.2 mtp85 -61.82 -44.22 97.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.478 HG21 HD13 ' A' ' 133' ' ' ILE . 18.9 m -100.41 29.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 40.3 ttp85 -89.41 89.86 8.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 30' ' ' LEU . 9.0 mt -44.02 155.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.3 OUTLIER -122.88 130.51 52.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.053 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -37.86 -44.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -56.74 -62.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.574 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -46.37 -49.87 17.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 25' ' ' LEU . 22.3 mt -56.81 -55.37 35.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.06 -23.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.0 mtt180 -93.19 -50.54 5.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.567 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.2 m0 -68.69 -9.37 49.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -58.53 -16.43 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 108.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -109.53 -19.89 13.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.601 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.413 ' SD ' ' HD2' ' A' ' 37' ' ' PRO . 8.8 mmt -53.88 154.93 6.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD2' ' SD ' ' A' ' 36' ' ' MET . 18.2 Cg_endo -75.01 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.5 p90 -82.19 12.82 3.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE1' HG11 ' A' ' 43' ' ' VAL . 35.7 t80 -35.12 -73.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.16 -45.35 43.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -51.86 58.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 44' ' ' THR . 5.8 m -66.59 -72.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.397 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.854 ' HA ' HD11 ' A' ' 25' ' ' LEU . 10.4 m -36.58 -33.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.6 m -68.62 106.57 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.75 6.64 11.24 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.465 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 19.2 m -112.13 170.19 8.33 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.607 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 29.9 m-85 -118.95 141.8 48.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.444 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.8 m -134.22 147.32 30.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 61' ' ' TYR . 1.6 tpt85 -86.92 114.84 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.681 HG22 ' O ' ' A' ' 62' ' ' ARG . 7.4 tp -101.22 146.07 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.15 107.54 2.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -55.37 -100.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.08 -107.46 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 177.09 139.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 0.788 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -129.96 178.47 6.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.609 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 58' ' ' LYS . 16.9 t30 -76.67 -67.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.29 85.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 56' ' ' ASN . 5.8 mttp 60.38 158.51 0.11 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.44 35.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 52' ' ' ILE . 7.4 p -107.54 143.43 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.419 ' HB2' ' NH2' ' A' ' 49' ' ' ARG . 37.8 m-85 -148.46 144.75 27.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.087 . . . . 0.0 110.996 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.681 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.9 mmt-85 -123.04 141.28 52.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.522 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 84.6 t -83.91 143.67 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -149.6 154.74 39.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -115.79 125.34 52.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.472 HD12 HD12 ' A' ' 25' ' ' LEU . 3.6 mt -63.22 115.44 2.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.5 p -104.95 1.22 28.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.76 -174.84 33.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.77 123.36 54.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 0.72 . . . . 0.0 109.326 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.482 HG21 HG11 ' A' ' 97' ' ' VAL . 26.1 m -99.01 170.59 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.44 146.02 44.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.1 p -121.49 175.0 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.01 -29.71 12.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -92.97 146.74 23.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.868 HG22 ' HB3' ' A' ' 84' ' ' ASN . 24.4 t -115.3 149.86 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.587 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 23.7 p90 -140.14 160.85 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -74.8 150.44 39.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.486 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 17.2 tp -149.15 79.71 1.41 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.09 22.88 77.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.542 1.152 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.76 -41.63 1.97 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 78' ' ' LEU . 11.0 t -84.67 142.89 29.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 110.445 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.487 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.7 mtt180 -104.18 113.79 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.507 HG22 ' CE1' ' A' ' 76' ' ' TYR . 9.5 t -112.14 169.04 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.384 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.868 ' HB3' HG22 ' A' ' 75' ' ' VAL . 3.9 p-10 -140.82 17.9 2.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -97.16 115.74 28.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -83.27 124.51 6.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.517 1.136 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.717 HD12 HG21 ' A' ' 103' ' ' VAL . 6.3 mt -71.02 114.8 9.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 0.764 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -77.15 96.27 4.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.607 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 11.6 mt -103.89 143.29 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -124.68 116.73 22.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -101.51 91.3 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.568 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.462 ' O ' ' HE2' ' A' ' 125' ' ' MET . . . 74.63 -129.8 11.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.586 HD22 ' HB1' ' A' ' 123' ' ' ALA . 0.7 OUTLIER -88.19 11.86 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.09 137.23 54.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.01 155.18 17.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.502 ' O ' HG23 ' A' ' 97' ' ' VAL . 16.0 mtt180 -148.87 -179.71 7.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 96' ' ' ARG . 78.5 t -156.7 105.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.9 m-85 -107.97 173.99 6.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.587 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 11.3 mtp180 -99.29 154.46 18.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 4.8 mp -59.23 -20.11 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.4 pt-20 -74.22 -24.82 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 21.9 m-30 -89.61 -15.39 32.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.717 HG21 HD12 ' A' ' 87' ' ' LEU . 78.0 t -68.08 117.89 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 175.48 9.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.017 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.437 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 56.4 t30 -116.78 -38.2 3.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' A' ' 105' ' ' ASN . 1.1 mt-30 -38.93 159.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 9.7 pt-20 -91.73 163.01 14.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -74.67 150.78 39.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.55 HG22 ' CG ' ' A' ' 112' ' ' GLU . 11.8 t -122.01 160.58 24.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.357 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.04 -32.93 64.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -75.57 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.55 ' CG ' HG22 ' A' ' 109' ' ' THR . 0.0 OUTLIER -47.97 -40.65 23.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 26.2 t80 -55.61 -45.1 77.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 14.9 mmt -76.79 -34.25 57.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -65.32 -45.92 82.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.1 t90 -67.3 -43.43 81.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 108.038 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.77 -45.0 39.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.45 -50.48 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.89 71.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.563 ' HE2' HD23 ' A' ' 127' ' ' LEU . 24.4 mmm -64.25 -40.29 95.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -69.56 -38.51 77.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.84 -36.77 73.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 93' ' ' ASN . . . -84.07 0.59 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.99 32.11 66.08 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.462 ' HE2' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.74 -173.5 4.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.422 ' O ' ' CE ' ' A' ' 120' ' ' MET . 8.2 pt20 -127.23 143.53 51.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.952 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -89.09 -177.21 0.78 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.607 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.4 Cg_endo -74.97 132.51 15.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 2.9 p -81.08 139.61 35.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.87 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.1 mm? -38.49 -42.53 0.76 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -59.11 5.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -47.01 62.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.64 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.6 mm -51.74 -50.71 30.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -68.64 -59.34 3.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.8 -52.81 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.2 tppt? -58.53 -60.57 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 140' ' ' ILE . 4.5 tp10 -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.8 mm? -42.01 -39.86 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.9 OUTLIER -61.37 -43.68 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.567 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -59.8 -49.97 81.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -50.8 58.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.75 -55.72 18.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.26 -61.5 1.32 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.18 101.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.04 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 167.32 174.53 36.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 164.4 33.47 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 79.8 p -130.94 127.72 39.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.012 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 19.3 m -77.96 124.21 27.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -109.53 -63.83 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 0.802 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.62 149.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.037 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 132.72 1.73 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.466 1.104 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.45 169.85 1.74 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 0.757 . . . . 0.0 110.029 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.91 170.19 3.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.027 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.65 152.19 22.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.27 39.1 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.39 3.32 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.506 1.792 . . . . 0.0 111.028 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.28 62.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.91 156.42 33.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.038 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.953 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.3 OUTLIER -115.38 147.61 39.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.916 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.02 154.81 42.64 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 110.995 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.766 HG22 ' HD2' ' A' ' 128' ' ' PRO . 9.4 m -36.9 97.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -67.36 -27.28 66.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.622 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -132.18 169.65 13.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.95 -15.63 20.75 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 9.3 mt-10 -59.3 -62.05 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 70.3 mm-40 -45.43 -47.53 13.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.4 tp -60.86 -36.72 79.9 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 2.6 m-20 -65.97 -20.48 66.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 30.4 mtp180 -74.95 -22.35 58.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.484 1.115 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 133' ' ' ILE . 33.8 m -119.72 17.26 6.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.519 ' HB2' ' CE2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -86.5 103.32 14.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.95 HD11 ' HA ' ' A' ' 43' ' ' VAL . 17.3 mt -59.81 176.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 2.4 p -146.87 140.46 25.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.957 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 5.7 ttp85 -36.78 -54.63 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 32' ' ' ARG . 20.0 m-70 -50.77 -61.23 2.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -48.19 -44.79 33.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.786 ' CD1' HG11 ' A' ' 103' ' ' VAL . 40.1 mt -64.54 -42.46 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -24.77 66.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.501 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 3.0 mtt85 -91.82 -50.27 5.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.14 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.545 ' CH2' HG23 ' A' ' 140' ' ' ILE . 11.1 m0 -67.37 -18.98 65.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 108.011 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -65.38 -17.02 64.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.281 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 3.9 p-80 -106.94 10.47 30.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -109.97 159.9 30.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -45.58 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -82.82 46.28 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.56 ' O ' HG22 ' A' ' 43' ' ' VAL . 59.8 t80 -81.38 -73.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -51.91 -47.5 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.17 -52.08 59.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 48.3 m -64.54 -72.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.418 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.95 ' HA ' HD11 ' A' ' 25' ' ' LEU . 17.3 m -37.25 -42.88 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.9 m -57.87 113.66 1.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.36 -1.67 26.57 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.039 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' ' 140' ' ' ILE . 85.3 m -105.24 -175.08 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 12.8 m-85 -132.27 145.97 51.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.411 HG12 ' HB2' ' A' ' 25' ' ' LEU . 27.3 m -132.85 145.73 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.51 110.78 20.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.3 tp -100.02 153.06 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.94 91.92 0.55 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.47 1.106 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.963 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -51.37 -38.66 20.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.467 0.745 . . . . 0.0 109.303 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' N ' HG12 ' A' ' 52' ' ' ILE . . . -169.18 -174.52 37.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.3 p30 178.3 78.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -170.8 68.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.611 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 55' ' ' HIS . 3.1 m-20 162.28 95.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.87 92.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.936 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt 66.91 157.77 0.14 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 177.66 8.29 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.469 1.773 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.963 HG12 HD11 ' A' ' 52' ' ' ILE . 2.5 t -130.1 124.99 59.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.43 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 26.7 m-85 -141.58 149.8 41.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.628 ' CG ' HD12 ' A' ' 52' ' ' ILE . 8.6 mmp_? -139.72 159.86 41.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 112' ' ' GLU . 55.5 t -102.19 126.82 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.577 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -129.38 154.37 46.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 24.3 tt0 -111.43 140.73 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 88' ' ' GLN . 8.9 mt -76.08 129.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.516 HG21 ' HB2' ' A' ' 90' ' ' ARG . 2.8 p -113.64 -8.96 13.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.46 -165.76 36.89 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -138.31 124.34 25.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.723 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.7 m -98.89 179.74 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.2 pt-20 -133.36 117.5 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 52.1 p -87.5 174.47 8.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 110.424 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.19 -32.62 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -94.96 151.27 19.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.862 HG22 ' HB3' ' A' ' 84' ' ' ASN . 12.1 t -110.22 148.27 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.245 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 34.1 p90 -135.89 160.02 39.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 46.6 tt0 -76.41 149.27 36.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.332 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 16.6 tp -148.41 90.36 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.06 11.78 59.18 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.461 1.101 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.73 -40.08 1.86 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 6.1 t -83.87 145.15 28.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 0.767 . . . . 0.0 110.427 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.433 ' CD ' HG12 ' A' ' 75' ' ' VAL . 1.1 mtt180 -100.6 113.03 25.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.488 HG23 ' CZ ' ' A' ' 76' ' ' TYR . 14.7 t -113.4 165.85 12.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.862 ' HB3' HG22 ' A' ' 75' ' ' VAL . 8.1 p-10 -138.89 43.05 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -119.91 122.47 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.723 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.71 113.24 4.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.646 ' C ' HG23 ' A' ' 97' ' ' VAL . 5.7 mt -69.49 112.83 6.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 1.8 tt0 -76.17 112.52 12.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.577 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.6 mt -115.8 137.32 52.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.516 ' HB2' HG21 ' A' ' 67' ' ' THR . 0.6 OUTLIER -120.37 116.36 25.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.97 119.55 39.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.089 . . . . 0.0 109.586 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.529 ' O ' ' HE3' ' A' ' 125' ' ' MET . . . 58.85 -126.22 41.96 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -98.78 21.6 11.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 0.745 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.88 133.32 50.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.61 154.01 18.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 17.1 mtt180 -160.88 -180.0 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 70' ' ' VAL . 2.9 p -157.96 110.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.584 ' CD2' HG12 ' A' ' 50' ' ' ILE . 14.8 m-85 -106.04 179.77 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.041 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -94.12 162.01 14.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.495 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.5 mp -65.53 -29.88 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.97 -44.84 87.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -76.82 -20.1 56.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.786 HG11 ' CD1' ' A' ' 30' ' ' LEU . 2.9 t -67.68 91.25 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.74 161.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -123.04 41.27 3.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -114.06 155.89 25.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -72.27 132.35 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 11.2 m-85 -50.3 134.31 23.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.5 t -99.61 155.03 17.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -50.32 -57.48 7.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 24.0 t -41.33 -74.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -43.51 -63.47 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.495 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 24.2 t80 -36.17 -60.62 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.09 -55.03 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.79 -39.17 11.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -70.3 -49.57 48.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -46.8 -42.07 16.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -46.97 -51.45 17.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.88 -37.61 69.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.707 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.4 mmm -74.88 -38.28 61.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -73.33 -28.47 62.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -77.4 -48.43 17.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.531 ' HB3' ' SD ' ' A' ' 125' ' ' MET . . . -73.65 -8.33 55.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 71.3 19.25 77.36 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.531 ' SD ' ' HB3' ' A' ' 123' ' ' ALA . 14.3 mtp -79.85 169.93 17.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.467 ' O ' ' CE ' ' A' ' 120' ' ' MET . 51.8 mt-30 -110.49 152.39 26.41 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -95.65 -174.14 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.766 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.07 129.52 12.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.527 1.804 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.1 p -80.07 138.88 37.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.953 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.6 mm? -39.35 -33.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.401 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.1 OUTLIER -60.03 -53.44 57.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 129' ' ' THR . 2.0 mt-10 -63.99 -35.55 81.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.559 ' HA ' HG11 ' A' ' 23' ' ' VAL . 4.1 mm -60.16 -58.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.45 -54.82 38.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -49.5 -48.73 47.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.555 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -66.93 -53.02 35.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -40.42 -58.85 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.269 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.43 HD13 ' HD3' ' A' ' 141' ' ' LYS . 1.7 mm? -47.45 -50.01 23.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.78 -44.53 39.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.657 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.3 mp -61.88 -56.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.43 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -39.82 -64.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 141' ' ' LYS . 40.5 mt-10 -38.1 -46.48 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -78.09 70.96 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 9.3 t 62.08 143.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.032 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.2 99.38 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.63 14.16 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.461 1.769 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.98 141.87 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 98.1 p -112.58 153.83 26.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -169.93 158.76 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.979 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -178.06 164.53 1.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.964 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.72 -106.89 0.3 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 m 70.28 -66.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.051 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.01 173.18 0.3 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.09 162.49 35.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.45 1.094 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 127.38 10.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.515 1.797 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 113.63 3.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.51 126.8 1.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 168.82 -179.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 1.077 ' CG ' HD12 ' A' ' 130' ' ' LEU . 3.2 pm0 -96.91 144.15 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.919 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.97 161.72 38.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.69 HG22 ' HD2' ' A' ' 128' ' ' PRO . 4.3 m -40.28 98.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -63.25 -30.1 71.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.035 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -130.65 171.3 9.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.536 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.4 Cg_endo -74.93 -25.68 11.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.7 mt-10 -53.08 -59.74 4.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.306 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.494 ' HG3' ' CD2' ' A' ' 130' ' ' LEU . 14.4 mm-40 -47.04 -45.54 21.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.554 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.2 tp -65.61 -26.07 67.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 18' ' ' GLU . 33.9 m-20 -82.71 -17.1 45.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 4.3 mtt85 -74.09 -29.38 61.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.523 HG21 HD13 ' A' ' 133' ' ' ILE . 34.2 m -112.29 25.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' NH2' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -86.43 123.91 32.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 10.3 mt -82.36 161.32 22.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ARG . 26.4 p -135.6 139.7 44.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 6.8 ttp85 -35.47 -50.48 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -66.53 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.568 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.516 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 0.9 OUTLIER -46.15 -34.36 4.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.921 HD21 HD13 ' A' ' 25' ' ' LEU . 69.2 mt -70.25 -58.05 4.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -47.35 -23.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -88.01 -52.28 5.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 9.7 m0 -68.48 -11.05 59.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.1 OUTLIER -63.19 -14.07 44.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 108.314 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -108.75 -13.76 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.619 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.7 mmt -66.27 152.16 94.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -48.47 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -85.5 16.96 3.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' O ' HG22 ' A' ' 43' ' ' VAL . 51.7 t80 -40.6 -74.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -45.1 -47.28 12.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -54.0 -52.44 60.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.419 ' O ' ' C ' ' A' ' 43' ' ' VAL . 74.9 m -62.13 -72.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.735 ' HB ' HD13 ' A' ' 66' ' ' ILE . 35.3 m -38.58 -44.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.0 m -55.92 104.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.81 -27.9 5.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.855 ' SG ' HD11 ' A' ' 140' ' ' ILE . 71.8 m -80.37 159.51 25.71 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.603 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 19.0 m-85 -108.87 148.4 30.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.3 m -137.53 150.97 25.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.82 115.07 26.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.578 HG12 ' CD2' ' A' ' 98' ' ' PHE . 5.6 tp -103.89 150.08 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.21 104.33 1.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.12 -89.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.481 0.753 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -122.54 -119.59 2.56 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 8.9 p-10 -178.32 156.17 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 3.4 m80 -173.21 -172.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.603 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -52.24 178.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.9 m 49.27 -177.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.002 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.04 165.77 0.17 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 165.22 31.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 9.8 p -106.11 145.75 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -151.56 149.9 29.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 111.019 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG2' ' CD1' ' A' ' 52' ' ' ILE . 9.4 mmt180 -129.1 139.3 52.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.496 ' HB ' ' CG ' ' A' ' 116' ' ' TRP . 74.6 t -83.94 122.4 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.638 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.55 160.04 36.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' O ' HG23 ' A' ' 67' ' ' THR . 1.3 tt0 -122.79 131.03 53.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.735 HD13 ' HB ' ' A' ' 43' ' ' VAL . 46.3 mt -64.51 106.2 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 65' ' ' GLU . 10.4 p -94.05 9.9 35.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.374 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.2 -177.49 25.45 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.5 t -130.12 121.44 51.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 86' ' ' GLY . 29.7 m -98.35 177.72 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -122.46 147.78 45.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 76.5 p -121.38 176.73 5.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.378 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.51 -29.76 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -96.28 146.53 24.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.917 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.9 t -113.45 147.36 17.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 14.0 p90 -135.16 164.32 27.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -78.76 150.29 32.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 81' ' ' THR . 16.0 tp -151.46 88.18 1.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.6 19.02 70.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.507 1.13 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.45 -37.99 3.12 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 78' ' ' LEU . 15.0 t -84.67 146.78 27.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 110.432 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.538 ' CD ' HG12 ' A' ' 75' ' ' VAL . 0.6 OUTLIER -105.46 111.72 24.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.2 t -113.64 166.11 11.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.917 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.5 p-10 -140.84 40.98 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -112.81 119.48 38.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.357 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.612 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -87.76 116.91 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.434 1.084 . . . . 0.0 111.036 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.799 HD12 HG21 ' A' ' 103' ' ' VAL . 7.1 mt -70.36 114.31 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.48 HE21 HG13 ' A' ' 70' ' ' VAL . 1.5 tt0 -77.92 98.79 5.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.638 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 9.2 mt -109.84 135.4 50.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 -119.49 129.23 54.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -115.1 117.79 31.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.488 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 61.98 -122.69 29.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -103.68 21.58 15.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.08 137.22 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -95.65 155.53 16.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 97' ' ' VAL . 7.0 mtt-85 -145.11 177.33 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' ARG . 48.5 t -156.49 100.79 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.578 ' CD2' HG12 ' A' ' 50' ' ' ILE . 54.9 m-85 -103.87 -168.08 1.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 99.5 mtt180 -119.41 160.43 22.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.495 ' O ' ' CD ' ' A' ' 27' ' ' ARG . 8.2 mp -62.18 -26.01 68.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.552 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 15.7 pt-20 -69.25 -17.8 63.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 20.5 m-30 -103.65 -9.81 18.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.804 HG11 ' CD1' ' A' ' 30' ' ' LEU . 8.7 t -74.79 94.31 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.24 172.99 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -133.05 37.04 3.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -93.98 175.14 6.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.455 ' HA ' ' NH2' ' A' ' 24' ' ' ARG . 7.3 pt-20 -89.75 156.67 18.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.47 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.0 m-85 -85.23 78.7 9.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 111.027 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' PHE . 49.8 p -38.47 150.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.391 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.56 -26.74 61.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.9 t -73.57 -69.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.8 -59.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 27.1 t80 -39.58 -51.78 2.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 mmt -69.86 -38.05 76.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.06 -38.49 88.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.522 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 4.8 t90 -71.88 -43.33 65.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 108.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.14 -43.34 61.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -45.88 -49.9 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.67 -41.88 74.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.583 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.7 mmm -70.62 -40.19 73.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -71.77 -33.54 68.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -73.19 -41.54 63.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.37 3.12 25.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 56.53 37.9 77.9 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.981 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.26 -175.63 3.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 0.778 . . . . 0.0 111.006 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.475 ' O ' ' CE ' ' A' ' 120' ' ' MET . 10.9 pt20 -125.29 149.7 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.919 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.57 -172.83 0.32 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.69 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.5 Cg_endo -75.0 122.17 7.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.472 1.775 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 132' ' ' GLU . 10.5 p -62.37 130.95 47.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 1.077 HD12 ' CG ' ' A' ' 12' ' ' GLN . 47.6 mt -44.42 -30.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.29 -45.08 74.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.7 mt-10 -65.98 -37.54 86.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.523 HD13 HG21 ' A' ' 23' ' ' VAL . 2.1 mm -55.6 -61.14 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -51.75 -57.2 9.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -50.69 -51.46 49.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.518 ' O ' HD12 ' A' ' 140' ' ' ILE . 11.0 tppt? -57.55 -54.43 46.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.46 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 27.7 tt0 -38.66 -63.24 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.3 mm? -41.45 -51.8 3.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.92 -42.09 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.855 HD11 ' SG ' ' A' ' 46' ' ' CYS . 3.0 mp -67.83 -51.41 50.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.46 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -51.4 -60.77 2.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.77 -55.71 5.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.31 -60.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 22.9 t -163.81 104.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 138.54 82.13 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.965 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.23 8.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.78 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.02 133.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.043 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.2 p -162.12 124.78 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.515 1.134 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.42 -45.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 0.739 . . . . 0.0 110.026 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m 58.6 171.23 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.45 137.34 2.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.48 155.13 32.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 0.757 . . . . 0.0 109.981 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.06 151.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.36 83.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 161.1 39.3 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.443 1.759 . . . . 0.0 110.98 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.479 1.779 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -93.61 152.74 18.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.454 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 0.3 OUTLIER -162.97 -163.75 0.9 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -100.69 131.51 23.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.95 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.99 102.75 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.608 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.98 89.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.422 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -60.9 -28.7 69.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.975 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -135.18 170.47 11.08 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.561 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.01 -9.75 20.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASN . 2.5 mt-10 -68.56 -57.89 5.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.513 ' HG3' HD22 ' A' ' 130' ' ' LEU . 32.9 mm-40 -46.52 -43.93 17.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 47' ' ' PHE . 6.5 tp -64.58 -31.42 72.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.8 m-20 -74.06 -17.19 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -76.99 -26.65 54.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.58 HG21 HD13 ' A' ' 133' ' ' ILE . 15.7 m -115.18 15.81 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 39.2 ttp85 -81.82 99.6 9.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.023 HD13 HD21 ' A' ' 30' ' ' LEU . 7.4 mt -54.57 160.89 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.0 t -134.28 132.63 39.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 26' ' ' SER . 1.1 ttp180 -36.32 -42.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -57.07 -62.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.3 mttp -48.59 -48.12 39.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.023 HD21 HD13 ' A' ' 25' ' ' LEU . 10.8 mt -57.99 -55.8 30.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.75 -23.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -92.59 -51.17 5.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.951 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.1 m0 -68.66 -8.93 46.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 107.964 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.9 p -61.11 -15.83 37.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -113.49 -13.39 12.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.453 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 9.2 mmt -60.68 157.9 35.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.66 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -88.08 30.4 0.86 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.837 ' CE1' HG11 ' A' ' 43' ' ' VAL . 15.4 t80 -51.19 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.614 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.13 -41.97 62.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.79 -45.47 82.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 43' ' ' VAL . 84.7 m -72.88 -71.48 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.837 HG11 ' CE1' ' A' ' 39' ' ' PHE . 5.0 m -35.7 -36.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.5 m -66.38 107.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.359 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.37 -21.22 7.75 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.627 ' SG ' HD11 ' A' ' 140' ' ' ILE . 51.5 m -85.72 174.9 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 20' ' ' LEU . 15.6 m-85 -120.89 141.17 50.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 66' ' ' ILE . 33.0 m -132.27 140.36 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 123.13 30.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 110.325 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 50' ' ' ILE . 5.9 tp -100.42 147.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -113.68 70.11 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.494 1.122 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.02 HD11 HG12 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -33.96 -37.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 152.09 -146.69 15.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.498 ' HA ' HG23 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -140.34 -75.05 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 0.747 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER 86.06 -76.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -88.34 -178.92 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.8 t -49.74 -76.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.98 148.09 1.54 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.35 14.65 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.512 1.796 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.02 HG12 HD11 ' A' ' 52' ' ' ILE . 10.9 t -141.46 120.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -142.8 153.18 42.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -142.29 150.29 40.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.723 HG13 ' CE1' ' A' ' 108' ' ' PHE . 58.9 t -90.25 145.19 7.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.707 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -151.71 145.53 25.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 29.0 tt0 -109.26 132.26 54.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.625 ' CD1' HD12 ' A' ' 25' ' ' LEU . 40.2 mt -65.17 131.86 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.783 HG21 ' HB2' ' A' ' 90' ' ' ARG . 5.0 p -111.79 -7.66 14.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.122 . . . . 0.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.72 -170.57 39.1 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 67.0 t -132.82 122.22 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.428 0.722 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 97' ' ' VAL . 18.3 m -98.52 179.54 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.4 pt-20 -130.23 117.49 19.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.4 p -85.96 174.25 9.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.387 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.19 -33.69 11.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -97.17 154.69 17.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.854 HG22 ' HB3' ' A' ' 84' ' ' ASN . 13.4 t -111.14 144.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 50.7 p90 -132.09 159.34 39.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 111.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -77.85 150.67 34.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.487 ' O ' HG22 ' A' ' 81' ' ' THR . 13.8 tp -148.93 90.06 1.73 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 1.178 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.62 14.68 60.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 124.98 -40.71 1.83 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.5 t -83.86 140.91 31.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.778 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.484 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 2.1 mtt180 -101.8 113.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.5 t -112.68 164.29 13.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.854 ' HB3' HG22 ' A' ' 75' ' ' VAL . 5.7 p-10 -132.53 38.51 3.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -120.66 134.24 55.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.589 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -103.83 124.61 8.14 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 30' ' ' LEU . 6.0 mt -76.23 111.97 12.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.439 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.0 tt0 -76.31 109.7 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.278 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.707 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 14.8 mt -113.84 123.5 49.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.783 ' HB2' HG21 ' A' ' 67' ' ' THR . 9.5 ttm180 -108.21 116.9 32.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' ASP . 74.7 t60 -101.47 120.98 41.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.607 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.504 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 47.76 -123.9 9.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -92.81 16.53 12.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 0.726 . . . . 0.0 109.32 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.1 OUTLIER -120.22 138.04 53.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -105.31 141.66 36.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.6 mtt-85 -147.12 172.81 13.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.638 HG21 HG21 ' A' ' 70' ' ' VAL . 3.1 p -160.36 100.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.499 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 27.6 m-85 -99.4 -175.08 2.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.45 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 32.8 mtt180 -101.46 165.52 11.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . 7.6 mp -66.11 -29.81 70.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.58 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.4 pt-20 -62.18 -30.63 71.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 19.3 m-30 -91.36 -6.18 53.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 30' ' ' LEU . 14.2 t -80.92 96.31 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -54.62 178.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -138.99 52.5 1.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 3.9 tt0 -117.49 179.5 4.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -103.93 139.21 39.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.723 ' CE1' HG13 ' A' ' 63' ' ' VAL . 13.6 m-85 -60.2 120.15 9.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.52 150.44 21.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -39.81 -64.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 m -39.29 -70.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.029 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 115' ' ' LYS . 55.9 mm-40 -44.53 -63.99 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 25.3 t80 -37.54 -58.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -64.02 -33.88 76.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 60.8 mmtt -64.6 -46.45 82.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -65.07 -43.56 91.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.02 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -49.13 -46.95 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.15 -53.2 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.55 -46.42 66.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.543 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 31.3 mmm -65.12 -40.88 95.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.66 -37.35 79.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -42.72 69.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -78.63 -0.28 29.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.44 35.63 73.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.1 OUTLIER -91.58 -171.91 3.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 110.964 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.543 ' O ' ' HE1' ' A' ' 120' ' ' MET . 6.0 mt-30 -127.21 146.1 50.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.95 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.3 -176.18 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.598 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.98 127.66 10.87 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.507 1.793 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.454 ' HB ' ' CB ' ' A' ' 11' ' ' SER . 2.1 p -73.38 136.79 44.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.397 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.513 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.1 mt -41.04 -39.74 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -61.32 -50.52 72.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.2 mt-10 -60.82 -37.94 83.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.582 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.1 mm -58.04 -54.14 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.25 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.91 -56.72 16.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -48.66 -49.28 38.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.685 ' O ' HD12 ' A' ' 140' ' ' ILE . 16.0 tppt? -65.71 -50.06 66.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.477 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 20.9 tt0 -44.05 -60.91 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 138' ' ' LEU . 2.0 mm? -46.46 -47.04 19.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -41.5 60.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.3 mp -65.72 -60.27 2.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.477 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.2 OUTLIER -41.98 -57.3 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -43.62 -56.0 3.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -45.11 -54.17 7.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 13.6 t -155.41 149.11 25.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 152.27 89.03 0.07 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 101.73 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 81.2 p -170.47 135.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.36 105.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.56 170.2 0.26 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 0.775 . . . . 0.0 110.009 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.97 148.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 115.7 1.67 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.35 162.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.013 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -172.31 170.39 5.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.08 159.44 29.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 143.03 28.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 133.91 17.22 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -154.87 80.45 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -163.59 173.89 12.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.838 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.0 OUTLIER -117.18 146.02 37.17 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.842 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.0 152.21 40.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.79 HG22 ' HD2' ' A' ' 128' ' ' PRO . 5.0 m -35.89 135.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.15 -2.31 12.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -147.64 163.33 28.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 16' ' ' LEU . 18.2 Cg_endo -74.99 -5.19 16.49 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 4.7 mt-10 -73.3 -61.07 1.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.548 ' HB3' HG12 ' A' ' 14' ' ' VAL . 34.0 mm-40 -49.13 -39.65 29.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 47' ' ' PHE . 6.5 tp -72.01 -23.55 61.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' OD1' ' NH1' ' A' ' 24' ' ' ARG . 42.6 m-20 -81.85 -17.37 47.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 28.0 mtp85 -74.14 -40.09 62.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.496 HG21 HD13 ' A' ' 133' ' ' ILE . 14.1 m -103.82 19.07 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.4 tmm_? -80.24 133.45 36.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.143 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.031 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -87.15 157.26 19.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' ARG . 48.0 t -133.09 138.24 46.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 100' ' ' LEU . 8.1 ttp85 -37.8 -45.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -55.47 -64.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.59 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 7.1 mtmt -47.79 -43.55 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.031 HD21 HD13 ' A' ' 25' ' ' LEU . 74.5 mt -62.41 -47.26 84.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -23.95 61.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.61 -50.68 5.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 1.005 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.56 -17.51 64.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.4 t -66.51 -16.14 63.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 108.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -108.01 7.82 28.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -107.71 159.99 28.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -46.35 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 p90 -81.29 47.66 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.574 ' O ' HG13 ' A' ' 43' ' ' VAL . 63.5 t80 -82.78 -71.49 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.578 1.174 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.585 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -52.44 -43.77 65.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -55.48 -49.06 73.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' VAL . 97.7 m -69.39 -71.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.8 m -35.77 -38.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.491 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 6.4 m -64.15 109.54 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.31 -18.87 13.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.052 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.677 ' SG ' HD11 ' A' ' 140' ' ' ILE . 98.1 m -80.62 176.98 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 34.5 m-85 -128.8 129.76 46.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 34.2 m -122.88 152.12 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.34 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 98' ' ' PHE . 5.8 tp -99.18 155.91 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 52' ' ' ILE . . . -118.85 75.41 0.3 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.105 HD11 HG12 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -35.98 -43.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.576 0.81 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.447 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 165.78 -137.68 4.81 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.151 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.592 ' HA ' HG23 ' A' ' 60' ' ' VAL . 13.5 p-10 179.29 158.9 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 109.258 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -117.02 -176.43 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -82.67 77.97 9.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.6 -70.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -135.13 160.23 69.01 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.94 13.64 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.485 1.781 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.105 HG12 HD11 ' A' ' 52' ' ' ILE . 18.4 t -141.32 126.85 18.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.431 ' C ' ' HG2' ' A' ' 62' ' ' ARG . 27.9 m-85 -140.78 154.64 46.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.614 ' HG2' HD12 ' A' ' 52' ' ' ILE . 1.8 mmm-85 -135.29 153.73 51.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 108' ' ' PHE . 97.1 t -107.1 121.82 60.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -126.2 160.53 30.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 25.3 tt0 -116.78 125.82 52.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.586 ' CD1' HD12 ' A' ' 25' ' ' LEU . 41.1 mt -62.92 123.31 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.499 HG21 ' HB2' ' A' ' 90' ' ' ARG . 8.2 p -104.4 -11.81 16.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.58 -169.51 42.39 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.429 ' CG2' HG21 ' A' ' 43' ' ' VAL . 69.7 t -135.31 123.12 37.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.565 0.803 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 86' ' ' GLY . 25.7 m -98.89 -179.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.2 pt-20 -134.48 118.63 17.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.2 p -89.5 -176.26 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.42 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.07 -28.39 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -93.9 150.57 20.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.931 HG22 ' HB3' ' A' ' 84' ' ' ASN . 31.1 t -117.56 149.99 19.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.533 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 41.5 p90 -142.0 158.81 43.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -72.23 148.81 45.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 81' ' ' THR . 14.2 tp -151.54 88.21 1.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.45 21.55 70.65 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.95 -41.52 2.08 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.4 t -84.45 145.17 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.376 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.49 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.0 mtm-85 -102.21 113.0 25.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -113.23 168.92 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.931 ' HB3' HG22 ' A' ' 75' ' ' VAL . 14.2 p-10 -146.32 32.16 0.99 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 10.1 mttp -101.93 123.5 45.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.928 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -91.91 105.01 3.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -59.04 115.63 3.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -77.81 96.52 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.502 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 12.2 mt -97.91 160.07 14.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.499 ' HB2' HG21 ' A' ' 67' ' ' THR . 7.7 ttm-85 -139.66 125.6 19.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 94' ' ' ASP . 85.2 t60 -107.24 90.51 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.565 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 72.31 -110.56 3.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 p30 -106.24 21.8 16.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 0.788 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -130.71 130.35 43.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 21.5 tt0 -95.41 158.92 15.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 95' ' ' GLN . 14.6 mtt180 -152.85 -179.51 7.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 12.4 t -149.68 106.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' CE2' HG12 ' A' ' 50' ' ' ILE . 91.4 m-85 -110.83 -170.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.533 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 3.0 mmt85 -118.99 163.73 16.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.251 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.9 mp -64.67 -36.08 83.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.515 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 8.9 pt-20 -54.87 -38.68 67.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 12.6 m-30 -80.72 -29.78 36.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 13.2 t -55.49 103.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -54.51 -168.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -146.01 -45.38 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -41.2 163.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.472 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.3 mt-10 -64.94 170.34 4.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 63' ' ' VAL . 2.1 m-85 -84.55 109.44 17.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.0 p -62.51 133.72 55.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -40.1 -36.35 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.6 m -68.74 -69.3 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' SER . 0.2 OUTLIER -38.11 -62.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -44.01 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.5 mmt -48.28 -46.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -50.08 -43.89 51.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.543 ' CD1' ' O ' ' A' ' 63' ' ' VAL . 3.0 t90 -66.98 -48.98 66.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.0 mtpt -43.96 -45.96 8.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -44.39 -53.14 7.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -51.76 -44.43 63.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.801 ' HE2' HD23 ' A' ' 127' ' ' LEU . 33.1 mmm -66.88 -41.75 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.31 -36.4 76.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -37.93 63.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.97 1.54 27.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 57.29 30.26 61.1 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.562 1.164 . . . . 0.0 111.048 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.79 178.63 5.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 111.026 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.495 ' O ' ' HE1' ' A' ' 120' ' ' MET . 3.6 mm-40 -116.98 150.33 38.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.842 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -96.52 -173.42 0.33 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.79 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -75.03 131.3 14.1 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -76.44 138.18 40.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.387 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.838 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.9 mm? -38.58 -41.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.3 -54.17 47.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.6 mt-10 -56.19 -35.38 67.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.559 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.8 mm -62.06 -59.69 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.05 -56.62 18.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.417 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -48.64 -48.64 39.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 12.1 tppt? -64.42 -45.84 85.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.24 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 26.2 tt0 -44.86 -63.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 138' ' ' LEU . 4.1 mm? -41.1 -52.77 3.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.87 -44.1 14.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 2.8 mp -65.35 -57.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 0.0 OUTLIER -42.23 -59.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -42.79 -60.75 1.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.5 165.26 24.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.965 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -76.88 149.76 36.73 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.76 9.49 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 79.9 p -162.27 166.41 25.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 t -149.05 166.88 27.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.74 126.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 110.033 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.72 143.81 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.85 -109.64 0.37 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m 63.09 143.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.04 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -178.83 156.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.32 147.72 15.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 131.8 14.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.434 ' O ' ' CG ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.02 126.12 9.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 9' ' ' PRO . 1.1 mttm -157.91 106.2 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.04 -162.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.629 ' CG ' HD23 ' A' ' 130' ' ' LEU . 4.6 pt20 -120.58 156.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.893 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 159.7 40.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 128' ' ' PRO . 3.6 m -36.92 114.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.01 -32.1 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.027 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.66 170.3 11.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.545 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.98 -12.71 21.57 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -64.76 -59.62 4.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 43.1 mm-40 -42.93 -47.56 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 47' ' ' PHE . 11.5 tp -63.55 -39.35 94.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.1 m-20 -60.48 -28.06 68.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 13.6 mtp85 -64.36 -49.38 71.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -93.07 25.97 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' CZ ' ' O ' ' A' ' 105' ' ' ASN . 22.9 ttp85 -84.93 82.37 8.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.973 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -41.21 161.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ARG . 78.6 p -131.15 134.81 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.97 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -36.75 -49.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.4 ' CD2' HH21 ' A' ' 32' ' ' ARG . 0.1 OUTLIER -52.23 -61.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.56 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 5.9 mtmm -47.95 -46.6 32.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.973 HD21 HD13 ' A' ' 25' ' ' LEU . 15.6 mt -62.07 -42.56 99.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -27.2 67.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.427 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.8 mtt180 -90.69 -49.14 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.943 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.1 m0 -67.86 -16.64 64.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 107.991 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -64.58 -15.68 61.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 3.5 p-80 -110.55 4.71 20.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.576 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.478 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.1 mmm -99.29 160.52 27.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.454 1.766 . . . . 0.0 110.939 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -80.75 47.72 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 43' ' ' VAL . 67.3 t80 -81.01 -73.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.584 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -51.15 -47.09 62.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.84 -48.98 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' VAL . 52.2 m -69.3 -72.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.43 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.752 ' HA ' HD11 ' A' ' 25' ' ' LEU . 6.5 m -36.36 -37.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.52 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -61.67 105.98 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.47 -21.39 7.22 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.78 167.2 13.49 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.604 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 14.8 m-85 -116.05 148.16 40.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.603 ' CG1' HD11 ' A' ' 66' ' ' ILE . 28.0 m -129.88 150.2 34.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.555 ' HD3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -94.36 107.48 19.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.287 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.1 tp -100.52 153.68 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.19 105.06 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.476 1.11 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.014 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -47.58 -89.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 0.758 . . . . 0.0 109.316 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -125.16 -145.2 6.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -179.85 123.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.35 -69.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.565 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -50.32 160.62 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.85 133.41 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp 63.9 160.79 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -171.13 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 110.951 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.014 HG22 HD11 ' A' ' 52' ' ' ILE . 14.4 p -149.62 147.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 40.1 m-85 -151.34 157.38 42.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.606 ' O ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -135.99 122.71 21.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.448 ' HB ' ' CB ' ' A' ' 116' ' ' TRP . 70.5 t -77.46 133.04 31.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -143.61 164.76 29.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 47' ' ' PHE . 3.7 tt0 -120.33 133.83 55.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.603 HD11 ' CG1' ' A' ' 48' ' ' VAL . 35.0 mt -67.55 106.51 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.0 p -93.62 7.35 45.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.8 -176.79 29.2 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 53.4 t -128.24 124.56 62.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 0.781 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG21 HG11 ' A' ' 97' ' ' VAL . 28.4 m -99.4 -177.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 6.4 pt-20 -141.73 124.8 16.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 41.3 p -99.13 168.93 9.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.421 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.95 -33.82 22.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 75' ' ' VAL . 1.7 tptm -95.1 148.5 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.244 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.86 HG22 ' HB3' ' A' ' 84' ' ' ASN . 22.5 t -110.57 144.6 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.508 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 30.0 p90 -126.78 156.35 41.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -70.03 145.79 51.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.332 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.571 ' O ' HG22 ' A' ' 81' ' ' THR . 15.6 tp -146.99 92.95 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.37 15.03 60.7 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.86 -37.72 3.01 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.571 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.8 t -84.82 144.29 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.403 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -95.65 113.1 24.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.592 ' O ' HG13 ' A' ' 75' ' ' VAL . 13.4 t -112.81 167.76 10.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.86 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.2 p-10 -140.23 14.07 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.408 ' HE3' HG12 ' A' ' 69' ' ' VAL . 5.4 mtpp -101.19 103.52 14.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.68 144.52 24.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 HG21 ' A' ' 103' ' ' VAL . 15.0 mt -86.38 122.73 30.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -78.36 95.69 5.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 13.5 mt -98.64 141.55 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -126.36 116.56 21.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.564 ' CE1' ' HD2' ' A' ' 62' ' ' ARG . 80.5 t60 -100.61 93.61 5.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.597 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.495 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 76.34 -126.97 8.47 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.07 14.61 17.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 0.745 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.76 134.64 54.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' HG2' ' N ' ' A' ' 96' ' ' ARG . 35.2 tt0 -99.14 156.57 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 89' ' ' LEU . 37.2 mtt85 -151.8 -178.9 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.447 HG11 HG21 ' A' ' 70' ' ' VAL . 25.5 t -150.85 109.9 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.568 ' CD2' HG12 ' A' ' 50' ' ' ILE . 69.0 m-85 -113.0 155.05 25.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.508 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 17.1 mtt180 -79.14 160.49 26.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.8 mp -68.33 -37.7 80.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.572 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 9.9 pt-20 -53.92 -29.03 40.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 17.9 m-30 -82.8 -30.66 28.68 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 1.096 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.746 HG21 HD12 ' A' ' 87' ' ' LEU . 39.1 t -55.85 115.34 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.42 174.7 4.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.482 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -114.18 -37.1 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -44.58 167.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.404 ' HA ' ' CD ' ' A' ' 24' ' ' ARG . 2.0 mt-10 -94.65 160.08 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -65.9 158.47 27.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.7 t -130.35 146.7 51.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -39.44 -53.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.3 m -43.19 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 113' ' ' PHE . 0.3 OUTLIER -46.4 -63.77 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.545 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.8 t80 -36.22 -52.89 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.4 mmt -67.55 -44.46 78.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -59.02 -42.12 89.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 5.1 t90 -68.65 -47.61 66.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.007 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -43.31 16.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -47.71 -50.43 25.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.07 -36.59 63.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.349 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.757 ' HE2' HD23 ' A' ' 127' ' ' LEU . 23.5 mmm -74.78 -38.95 62.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -71.85 -32.58 67.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 t -73.89 -43.69 57.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -80.53 2.6 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 55.43 39.12 72.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.535 1.147 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.495 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.12 -174.0 2.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.772 . . . . 0.0 110.989 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.486 ' O ' ' CE ' ' A' ' 120' ' ' MET . 72.9 mt-30 -126.44 149.04 49.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.312 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.893 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -92.23 -172.42 0.32 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.67 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.2 Cg_endo -74.99 131.32 14.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 0.7 OUTLIER -74.57 134.24 42.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.43 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 12' ' ' GLN . 3.5 mm? -37.76 -39.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.99 -56.52 20.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' THR . 48.9 mm-40 -53.24 -39.83 64.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.499 HD11 ' CG1' ' A' ' 14' ' ' VAL . 2.4 mm -55.7 -60.87 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -62.45 -53.64 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 mttm -48.5 -47.85 38.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -65.21 -57.98 7.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.516 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.1 tp10 -41.12 -58.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 138' ' ' LEU . 0.8 OUTLIER -43.3 -37.18 2.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -64.39 -42.68 96.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.569 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.0 mp -58.33 -45.76 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.4 -57.57 12.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.33 -49.31 61.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -43.46 -59.14 2.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.56 117.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.97 82.61 0.05 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.43 42.99 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.18 157.96 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.04 164.14 12.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t -165.36 161.72 19.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.748 . . . . 0.0 110.033 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m -161.69 168.32 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.92 166.97 39.33 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 p -174.79 150.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.71 147.65 1.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.58 82.62 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.3 Cg_endo -74.98 141.16 26.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.3 Cg_endo -74.96 173.18 14.94 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.52 1.8 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.93 126.82 46.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.423 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 0.3 OUTLIER -152.77 -161.61 1.33 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.023 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -100.68 132.1 22.72 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.947 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.98 100.89 1.4 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.467 1.772 . . . . 0.0 111.031 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.595 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.7 m 23.23 88.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.439 ' H ' HD21 ' A' ' 130' ' ' LEU . 0.4 OUTLIER -59.31 -28.83 67.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.017 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.83 170.88 9.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.547 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.0 -7.6 19.31 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.2 -55.75 8.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.28 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 130' ' ' LEU . 23.0 mm-40 -49.07 -44.02 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.237 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD11 ' CD1' ' A' ' 47' ' ' PHE . 7.6 tp -65.41 -31.2 72.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -70.78 -25.2 62.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.3 mtp-105 -64.74 -46.49 82.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG13 HG23 ' A' ' 133' ' ' ILE . 30.1 m -91.31 23.86 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -78.85 104.4 9.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.261 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.92 HD11 ' HA ' ' A' ' 43' ' ' VAL . 13.6 mt -66.5 164.15 17.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.0 p -133.17 138.03 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.966 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 2.0 ttp180 -39.26 -53.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' O ' ' N ' ' A' ' 31' ' ' GLU . 9.9 m80 -48.78 -64.21 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.3 mttp -43.65 -43.25 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.601 ' CD1' HG11 ' A' ' 103' ' ' VAL . 22.8 mt -66.14 -41.3 90.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -61.54 -26.55 68.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.0 mtt85 -91.26 -49.93 6.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.543 ' HH2' HG23 ' A' ' 140' ' ' ILE . 11.0 m0 -67.49 -16.98 64.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -62.75 -17.58 61.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 108.276 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' HIS . 22.7 t60 -108.83 5.54 24.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.601 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.467 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 17.6 mmm -97.23 160.78 28.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -51.7 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -83.02 45.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.864 ' O ' HG22 ' A' ' 43' ' ' VAL . 58.4 t80 -74.54 -64.7 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.54 ' HA ' ' CG2' ' A' ' 43' ' ' VAL . . . -60.3 -45.04 94.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -50.26 67.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 44' ' ' THR . 69.1 m -67.02 -72.83 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.92 ' HA ' HD11 ' A' ' 25' ' ' LEU . 33.1 m -36.96 -33.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.3 m -66.68 118.47 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.38 11.06 28.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . 15.5 m -117.32 -172.74 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CD1' HD11 ' A' ' 20' ' ' LEU . 29.1 m-85 -140.68 139.77 34.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.048 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.809 HG13 HD11 ' A' ' 66' ' ' ILE . 4.2 m -126.63 153.17 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.26 110.97 22.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.735 HD12 ' O ' ' A' ' 102' ' ' PHE . 4.5 tp -100.15 151.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.57 87.55 0.45 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.637 HG12 HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -43.65 -69.39 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' H ' ' CG1' ' A' ' 52' ' ' ILE . . . -135.51 -138.69 3.9 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 p30 170.64 139.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 0.79 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -164.4 -70.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.608 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.63 166.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.02 -61.5 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -84.71 158.56 59.45 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 165.52 31.08 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.637 HG23 HG12 ' A' ' 52' ' ' ILE . 1.9 m -106.35 148.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -154.5 141.63 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.466 ' HG3' HG22 ' A' ' 50' ' ' ILE . 6.8 ptp180 -131.98 139.8 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.299 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 112' ' ' GLU . 46.4 t -67.95 144.41 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.957 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -146.1 123.66 11.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 33.9 tt0 -86.08 130.01 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.23 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.809 HD11 HG13 ' A' ' 48' ' ' VAL . 6.8 mt -80.16 122.92 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 90' ' ' ARG . 12.7 p -107.48 -14.2 14.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 170.94 -170.57 43.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 54.6 t -130.99 129.14 63.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 97' ' ' VAL . 27.2 m -100.78 -177.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLU . 5.7 pt-20 -141.89 119.77 11.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 110.242 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 54.7 p -89.25 170.33 10.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.28 -34.94 20.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -95.34 148.72 22.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.936 HG22 ' HB3' ' A' ' 84' ' ' ASN . 37.1 t -108.1 148.89 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.479 ' CE2' ' HG2' ' A' ' 99' ' ' ARG . 31.4 p90 -132.09 157.49 44.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.44 143.9 49.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 110.339 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 20.3 tp -141.94 85.51 1.94 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.06 15.63 69.8 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.9 -40.95 1.84 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 14.7 t -84.53 146.13 27.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 0.774 . . . . 0.0 110.451 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.578 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.2 mtt180 -100.41 112.34 24.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 75' ' ' VAL . 14.6 t -114.0 167.43 10.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 110.422 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.936 ' HB3' HG22 ' A' ' 75' ' ' VAL . 7.7 p-10 -143.87 42.58 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -129.12 92.76 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.92 151.82 49.54 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD12 HG21 ' A' ' 103' ' ' VAL . 13.7 mt -88.74 119.98 29.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.579 0.811 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -77.85 95.62 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.957 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 22.8 mt -100.04 136.1 40.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 67' ' ' THR . 14.0 ttp180 -110.46 116.14 30.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -102.87 123.36 46.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.649 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.484 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.21 -105.82 0.7 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.525 1.141 . . . . 0.0 111.042 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -116.09 -8.92 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.93 166.37 11.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.593 1.183 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.04 156.54 26.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.605 ' O ' HG23 ' A' ' 97' ' ' VAL . 0.4 OUTLIER -141.52 -178.18 5.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 96' ' ' ARG . 18.0 t -157.33 110.85 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 50' ' ' ILE . 87.6 m-85 -115.72 158.37 22.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HG2' ' CE2' ' A' ' 76' ' ' TYR . 14.8 mtt-85 -82.47 162.96 21.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.4 mp -70.99 -19.33 62.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.512 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.6 pt-20 -74.58 -12.81 60.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.735 ' O ' HD12 ' A' ' 50' ' ' ILE . 17.9 m-85 -110.96 17.57 20.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.732 HG21 HD12 ' A' ' 87' ' ' LEU . 3.3 t -104.12 98.03 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.403 ' C ' ' OD1' ' A' ' 105' ' ' ASN . 0.4 OUTLIER -67.15 171.31 5.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.403 ' OD1' ' C ' ' A' ' 104' ' ' SER . 6.4 m-20 -133.86 67.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -129.11 175.55 8.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 110.335 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -88.72 136.73 32.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.34 145.58 55.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.127 . . . . 0.0 110.968 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.58 HG23 ' H ' ' A' ' 112' ' ' GLU . 14.8 t -107.82 136.45 47.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -38.22 -40.21 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -72.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.58 ' H ' HG23 ' A' ' 109' ' ' THR . 5.1 pt-20 -48.19 -44.84 33.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.547 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.0 t80 -53.68 -48.6 69.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 3.2 mmt -72.71 -37.27 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.463 ' CB ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 t90 -69.82 -45.38 68.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -48.81 -45.65 40.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -42.73 -51.67 5.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' CA ' ' A' ' 92' ' ' GLY . . . -54.81 -45.47 74.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.512 ' HE1' ' O ' ' A' ' 126' ' ' GLN . 26.2 mmm -66.42 -38.93 88.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -71.18 -37.32 72.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -37.84 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -83.01 -3.3 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.76 32.18 78.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.484 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -88.64 -171.11 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 0.79 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.512 ' O ' ' HE1' ' A' ' 120' ' ' MET . 67.1 mt-30 -127.29 146.06 50.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.947 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -91.32 -175.38 0.51 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.585 ' CD ' ' HB3' ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.01 126.67 10.11 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.517 1.799 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.5 p -72.85 135.88 45.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.404 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.512 HD22 ' HG3' ' A' ' 19' ' ' GLU . 10.7 mt -41.23 -40.22 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.31 -49.53 77.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -60.39 -43.47 96.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.562 HG23 HG13 ' A' ' 23' ' ' VAL . 1.4 mm -52.72 -56.81 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.284 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -57.6 -64.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -44.2 -57.61 3.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 139' ' ' SER . 15.0 tppt? -49.23 -63.42 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.473 ' HA ' HD13 ' A' ' 140' ' ' ILE . 2.7 tp10 -38.4 -57.36 1.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.51 HD13 ' NZ ' ' A' ' 141' ' ' LYS . 4.2 mm? -42.27 -43.74 3.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -56.24 -42.15 76.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.543 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -61.34 -56.32 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.51 ' NZ ' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -41.04 -63.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -46.42 -40.81 12.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.346 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -74.25 73.02 1.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.27 164.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 76.62 98.45 0.16 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -47.55 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 t 62.0 135.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.173 . . . . 0.0 109.993 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 72.7 m -130.35 161.0 32.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 0.0 111.0 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -164.36 78.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.1 m 64.02 167.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.945 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 145.91 6.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.536 1.147 . . . . 0.0 110.958 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.06 160.38 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.84 168.23 10.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.93 108.04 0.91 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.134 . . . . 0.0 111.044 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 130.42 13.23 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.509 1.794 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.05 143.6 51.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.408 ' HB3' ' HB ' ' A' ' 129' ' ' THR . 0.3 OUTLIER -174.05 -149.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.416 ' CD ' ' OG ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -114.99 129.37 25.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.346 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.927 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.4 Cg_endo -74.99 101.14 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.455 1.766 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.2 m 22.43 88.76 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.416 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -56.5 -30.82 63.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.991 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.758 HD12 ' OE1' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -137.91 174.01 4.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.542 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.94 -6.26 17.86 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.473 1.775 . . . . 0.0 111.038 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.1 mt-10 -71.0 -58.93 3.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.758 ' OE1' HD12 ' A' ' 16' ' ' LEU . 1.7 mt-10 -46.73 -46.78 20.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.714 HD11 ' CD2' ' A' ' 47' ' ' PHE . 10.1 tp -62.3 -27.25 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' GLU . 8.0 m-20 -82.01 -25.01 35.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' O ' ' OE1' ' A' ' 137' ' ' GLU . 10.6 mtp180 -68.65 -8.11 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG21 HD13 ' A' ' 133' ' ' ILE . 16.7 m -134.56 30.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 23.2 ptt180 -86.18 111.71 20.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.934 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 4.8 mt -67.65 151.46 47.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' ARG . 1.7 p -123.62 131.7 53.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' SER . 10.5 ttp-105 -35.32 -46.03 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -51.85 -61.55 2.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.612 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.487 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 8.7 mtmt -51.88 -41.02 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 25' ' ' LEU . 68.8 mt -63.95 -44.68 92.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -30.52 70.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.571 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -85.53 -50.91 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.934 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 8.7 m0 -66.9 -16.74 64.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -65.64 -17.63 64.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 3.4 p80 -107.79 9.74 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.649 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.494 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 38.0 mmm -105.98 160.1 27.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -49.64 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -81.46 47.05 1.0 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 43' ' ' VAL . 62.5 t80 -79.95 -74.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.602 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -49.38 -46.31 47.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.21 -48.66 64.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 43' ' ' VAL . 93.1 m -69.69 -72.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 110.387 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.605 ' HA ' HD11 ' A' ' 25' ' ' LEU . 4.9 m -37.03 -35.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 3.7 m -63.34 106.19 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.62 -18.91 9.9 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 14.3 m -82.88 168.15 17.36 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CD2' HD11 ' A' ' 20' ' ' LEU . 30.7 m-85 -122.94 130.34 52.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 103' ' ' VAL . 19.9 m -123.36 147.16 27.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.44 110.86 21.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.8 tp -101.02 150.49 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.71 121.13 5.48 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.553 ' CD1' HG23 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -69.83 -32.15 50.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.257 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 52' ' ' ILE . . . 170.29 75.05 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' A' ' 59' ' ' PRO . 17.2 p-10 -64.88 155.88 32.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -154.83 176.88 11.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.581 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.62 -40.78 93.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -70.74 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 157.52 74.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.606 ' O ' ' O ' ' A' ' 60' ' ' VAL . 18.3 Cg_endo -74.96 -36.87 2.33 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.009 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.606 ' O ' ' O ' ' A' ' 59' ' ' PRO . 1.5 m 51.07 116.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -152.07 161.83 42.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 111.071 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.575 ' O ' HG22 ' A' ' 50' ' ' ILE . 10.5 mmt180 -142.17 126.34 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.458 HG22 ' CD1' ' A' ' 108' ' ' PHE . 76.0 t -73.01 127.01 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -132.48 158.42 42.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 11.8 tt0 -122.69 124.29 43.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 43' ' ' VAL . 29.0 mt -63.32 114.37 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -99.99 4.05 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.59 -173.32 33.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 79.7 t -131.79 123.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 86' ' ' GLY . 17.7 m -98.69 -177.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 6.8 pt-20 -137.88 117.19 12.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.3 p -91.28 -177.31 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.39 -28.74 12.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.86 156.4 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.835 HG22 ' HB3' ' A' ' 84' ' ' ASN . 14.9 t -120.59 149.69 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.584 ' CE2' ' HG3' ' A' ' 99' ' ' ARG . 32.1 p90 -136.15 161.1 36.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -79.41 152.18 30.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 110.293 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 81' ' ' THR . 25.5 tp -148.31 72.19 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.51 30.65 59.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.62 -41.35 2.25 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 78' ' ' LEU . 7.4 t -83.45 141.69 31.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.384 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 1.1 mmt85 -106.17 113.58 27.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.102 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.581 HG22 ' CE1' ' A' ' 76' ' ' TYR . 12.9 t -112.94 168.61 9.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.835 ' HB3' HG22 ' A' ' 75' ' ' VAL . 6.1 p-10 -137.84 25.93 2.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -98.72 117.5 33.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -89.82 110.13 3.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD12 HG21 ' A' ' 103' ' ' VAL . 6.1 mt -64.87 117.89 8.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.577 ' OE1' HG13 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -77.89 95.57 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.598 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 8.8 mt -99.93 129.22 45.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -108.98 134.03 52.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -124.34 132.8 53.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 52.57 -102.15 0.08 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.458 HD22 ' HB1' ' A' ' 123' ' ' ALA . 5.7 t-20 -128.39 18.85 6.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.54 143.88 51.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -94.71 154.01 17.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.527 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 5.5 mtt-85 -144.41 176.29 9.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.88 105.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.571 ' CD2' HG12 ' A' ' 50' ' ' ILE . 77.3 m-85 -111.21 164.01 13.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.584 ' HG3' ' CE2' ' A' ' 76' ' ' TYR . 0.0 OUTLIER -88.24 145.89 25.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 110.36 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.478 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 8.1 mp -52.15 -33.36 39.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 5.8 pt-20 -56.5 -33.26 65.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 18.4 m-30 -85.69 -21.1 28.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.778 HG11 ' CD1' ' A' ' 30' ' ' LEU . 3.8 t -67.51 101.78 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 69.7 m -78.6 158.64 28.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.994 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -118.66 69.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.06 172.3 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -91.39 139.2 30.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.458 ' CD1' HG22 ' A' ' 63' ' ' VAL . 22.6 m-85 -67.16 127.65 33.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 112' ' ' GLU . 3.5 t -92.45 145.53 24.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 110.361 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' THR . 30.8 tt0 -36.57 -58.91 0.7 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.1 t -43.03 -72.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.956 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.438 ' H ' HG23 ' A' ' 109' ' ' THR . 65.2 mm-40 -42.4 -63.9 0.69 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.542 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 21.1 t80 -36.89 -63.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.1 mmt -60.46 -41.39 94.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -58.72 -41.7 87.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -70.24 -45.17 67.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.03 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.33 -44.82 34.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -44.25 -50.48 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.66 75.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.519 ' CE ' HD23 ' A' ' 127' ' ' LEU . 26.2 mmm -67.22 -40.17 86.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.07 -38.32 85.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -38.87 64.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.028 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.458 ' HB1' HD22 ' A' ' 93' ' ' ASN . . . -78.54 -2.96 41.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.11 27.38 62.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.961 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -170.58 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 0.758 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.515 ' O ' ' HE1' ' A' ' 120' ' ' MET . 2.7 mm-40 -127.5 146.38 50.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.927 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -90.45 -177.9 0.86 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -74.99 133.77 17.01 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 132' ' ' GLU . 0.9 OUTLIER -81.32 138.46 35.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.386 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 19' ' ' GLU . 8.5 mt -43.97 -37.96 3.22 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.23 -44.1 97.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.5 mt-10 -68.3 -42.19 79.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.592 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -54.97 -48.46 75.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -66.56 -59.87 3.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -47.85 -51.12 24.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.2 tppt? -57.33 -61.15 2.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.524 ' HA ' HD13 ' A' ' 140' ' ' ILE . 3.2 tp10 -42.7 -55.83 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 138' ' ' LEU . 0.4 OUTLIER -44.81 -36.54 3.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -64.68 -39.17 93.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.581 HG23 ' CH2' ' A' ' 33' ' ' TRP . 2.0 mp -62.51 -45.62 98.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.25 -63.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -49.17 -51.58 31.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -40.45 -59.19 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 16.5 t -176.82 100.09 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 170.99 124.39 0.75 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 138.43 22.99 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.58 3.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 12.5 m -56.77 139.44 50.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.543 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -174.66 106.96 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 109.959 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -158.58 163.47 36.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.79 166.48 33.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.18 134.88 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 0.731 . . . . 0.0 110.003 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.77 114.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.001 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.4 120.35 0.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 18.2 Cg_endo -75.08 149.95 37.12 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.531 1.806 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 18.3 Cg_endo -75.0 143.54 29.17 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -175.33 99.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 m -178.9 -175.32 0.39 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.989 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.6 tt0 -105.47 132.99 20.39 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.951 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -74.97 106.91 2.37 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.613 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 21.22 90.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' OG ' ' CD ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -58.6 -30.11 66.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -136.54 171.31 8.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.556 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -10.93 21.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 71.7 mm-40 -67.52 -51.82 46.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.564 ' O ' HD12 ' A' ' 133' ' ' ILE . 51.8 mm-40 -52.81 -37.77 60.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.63 HD11 ' CD2' ' A' ' 47' ' ' PHE . 8.8 tp -73.42 -19.98 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.534 ' OD1' ' CD2' ' A' ' 108' ' ' PHE . 19.8 m-20 -85.4 -16.9 38.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 9.1 mtp-105 -69.5 -49.62 52.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -91.69 26.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' NH1' ' HA ' ' A' ' 107' ' ' GLU . 1.9 ttm-85 -81.14 103.69 11.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.737 HD21 ' CZ3' ' A' ' 33' ' ' TRP . 7.9 mt -67.19 155.62 38.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' ARG . 34.6 p -124.97 138.6 54.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -37.1 -56.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 94.3 m-70 -45.99 -65.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.542 ' HD2' ' CZ2' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -43.09 -48.7 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 25' ' ' LEU . 16.0 mt -59.16 -64.78 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -35.43 -32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.287 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -82.33 -51.65 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.737 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.5 m0 -68.05 -14.2 62.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.973 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -67.41 -10.13 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.354 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -117.66 4.17 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.616 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 37.1 mmm -97.75 160.63 28.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.017 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -48.49 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -84.26 45.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.09 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CE1' HG11 ' A' ' 43' ' ' VAL . 12.8 t80 -79.1 -72.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -49.2 -53.67 20.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.76 -56.17 5.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 43' ' ' VAL . 79.4 m -62.57 -75.15 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.2 m -35.85 -43.39 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.546 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 7.8 m -54.59 106.75 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -25.26 7.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.445 1.09 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 26.6 m -76.89 169.37 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.63 ' CD2' HD11 ' A' ' 20' ' ' LEU . 21.0 m-85 -124.91 138.47 54.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.9 m -131.75 144.89 36.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -84.18 113.46 21.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG12 ' CD2' ' A' ' 98' ' ' PHE . 6.1 tp -101.03 151.8 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.61 107.58 1.55 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.026 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -48.92 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -135.84 -119.83 1.93 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -174.09 114.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -79.52 -69.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.616 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 t30 177.23 -64.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.0 m -73.67 103.79 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp 63.84 157.89 0.12 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.357 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -172.53 1.28 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.495 1.787 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.026 HG22 HD11 ' A' ' 52' ' ' ILE . 12.1 p -145.73 141.78 21.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -153.26 140.22 19.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 111.041 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.548 ' O ' HG22 ' A' ' 50' ' ' ILE . 6.1 mmp_? -123.52 137.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.422 HG22 ' CE1' ' A' ' 108' ' ' PHE . 51.9 t -75.24 133.27 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.758 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.32 154.45 47.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 0.7 OUTLIER -123.12 133.23 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.28 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' A' ' 43' ' ' VAL . 44.1 mt -66.13 109.55 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.7 p -95.75 4.31 53.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.82 -164.71 32.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.626 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 52.2 t -142.28 122.11 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.733 . . . . 0.0 109.273 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 86' ' ' GLY . 33.2 m -98.78 -175.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.6 pt-20 -136.9 121.58 18.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 77.4 p -93.33 -179.77 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.66 -28.86 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -90.33 149.56 22.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG22 ' HB3' ' A' ' 84' ' ' ASN . 9.5 t -114.22 147.59 17.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.586 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 28.1 p90 -140.87 154.67 46.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 19.1 tt0 -70.91 147.94 48.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.68 ' O ' HG22 ' A' ' 81' ' ' THR . 8.2 tp -154.66 86.96 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 65.76 32.43 82.91 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 103.03 -40.83 2.29 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 78' ' ' LEU . 13.5 t -83.82 144.85 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.5 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 3.8 mtt180 -110.15 111.38 22.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.0 t -114.27 141.3 47.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.362 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.679 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.1 p-10 -107.15 22.41 16.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.427 ' HD3' ' CG1' ' A' ' 69' ' ' VAL . 2.0 mttp -88.23 162.87 16.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.41 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -135.26 121.6 2.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.444 HD12 HG21 ' A' ' 103' ' ' VAL . 8.3 mt -76.7 118.11 19.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' C ' HD23 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -80.2 101.19 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.758 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -109.99 125.7 53.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -111.34 135.3 52.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -117.99 92.3 3.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.604 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.493 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 81.53 -120.93 5.27 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -102.16 22.13 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.05 126.46 31.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -91.9 153.57 19.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 97' ' ' VAL . 1.1 mtt-85 -143.15 179.98 6.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 96' ' ' ARG . 5.1 t -153.16 107.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CD2' HG12 ' A' ' 50' ' ' ILE . 68.0 m-85 -109.47 -170.54 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.586 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 49.3 mmt-85 -117.54 163.03 17.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.623 HD22 HD21 ' A' ' 78' ' ' LEU . 4.7 mp -65.53 -37.58 87.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.492 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 10.9 pt-20 -55.55 -27.34 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.555 ' O ' HD12 ' A' ' 50' ' ' ILE . 15.2 m-85 -102.79 14.68 31.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.495 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.7 t -102.45 96.48 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.2 m -91.84 157.06 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.954 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 106' ' ' GLN . 15.1 m-20 -91.53 -66.58 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER 37.29 -154.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.291 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' HA ' ' NH1' ' A' ' 24' ' ' ARG . 3.4 pt-20 -132.2 152.35 51.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CD2' ' OD1' ' A' ' 21' ' ' ASN . 7.1 m-85 -84.08 100.03 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 112' ' ' GLU . 9.8 t -71.04 136.58 48.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' THR . 18.9 tt0 -36.44 -49.21 0.71 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -45.71 -72.6 0.05 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.476 ' H ' HG23 ' A' ' 109' ' ' THR . 0.3 OUTLIER -44.07 -64.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.296 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.556 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 30.1 t80 -37.66 -46.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.956 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 12.8 mmt -74.92 -38.87 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.488 1.118 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 112' ' ' GLU . 3.6 mmmt -63.21 -40.07 96.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.411 ' CZ3' ' CD2' ' A' ' 20' ' ' LEU . 3.8 t90 -70.38 -45.51 65.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.017 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -47.39 -46.28 25.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -42.97 -51.62 5.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -53.97 -44.54 70.87 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.464 ' HB3' ' HE3' ' A' ' 120' ' ' MET . 28.5 mmm -67.58 -41.32 84.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.88 -34.86 74.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -39.07 63.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -82.75 4.64 24.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 53.91 37.24 57.44 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -93.9 -173.9 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.439 ' O ' ' HE1' ' A' ' 120' ' ' MET . 13.3 pt20 -126.39 145.2 50.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.951 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.12 -178.3 0.87 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.603 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.2 Cg_endo -75.03 130.51 13.31 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.514 1.797 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 132' ' ' GLU . 3.0 p -81.29 138.97 35.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -40.82 -30.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.8 OUTLIER -67.59 -52.41 38.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.4 mt-10 -60.88 -42.34 97.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.581 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -53.96 -54.32 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -62.32 -59.64 4.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 10.9 pttt -47.15 -50.41 20.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.467 ' N ' ' CG ' ' A' ' 135' ' ' LYS . 15.4 tppt? -57.43 -61.35 2.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 140' ' ' ILE . 2.0 tp10 -43.5 -56.78 3.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -44.89 -32.17 1.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 136' ' ' LYS . 0.2 OUTLIER -68.58 -42.32 78.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.531 HG23 ' HH2' ' A' ' 33' ' ' TRP . 2.2 mp -60.74 -50.49 80.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -66.4 0.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 143' ' ' ALA . 13.0 mt-10 -48.63 -50.86 31.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.095 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -39.5 -64.85 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 32.1 t -175.41 90.96 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -178.98 -179.74 48.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 171.34 18.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.6 t -167.97 130.87 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 14.2 p -171.33 80.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.004 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -171.22 150.88 3.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.047 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -146.69 -58.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.58 171.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -178.4 165.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.94 166.9 22.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 110.003 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.62 100.16 0.13 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.441 1.088 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.66 42.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 164.08 34.12 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.0 tttt -166.23 94.58 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.61 -174.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.971 ' O ' HD22 ' A' ' 130' ' ' LEU . 0.6 OUTLIER -112.59 149.27 40.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.884 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.03 156.64 42.84 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.466 1.771 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' A' ' 128' ' ' PRO . 11.2 m -45.89 108.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.455 ' OG ' ' NE2' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -81.02 -22.98 38.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.575 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -130.96 167.53 21.13 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.5 Cg_endo -75.01 -8.56 20.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.781 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASN . 3.8 mt-10 -68.18 -61.83 1.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' HG12 ' A' ' 14' ' ' VAL . 80.2 mm-40 -48.44 -41.31 29.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.649 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.0 tp -68.54 -26.57 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' GLU . 6.3 m-20 -79.11 -13.77 59.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 mtp85 -78.9 -6.34 55.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.604 HG21 HD13 ' A' ' 133' ' ' ILE . 3.1 m -132.01 17.81 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 11.1 ptt85 -73.69 116.56 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.237 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -76.82 156.03 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' ARG . 84.5 p -119.66 134.7 55.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' CZ ' ' CB ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -37.83 -55.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -46.84 -66.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.59 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 16.1 mttp -42.8 -43.75 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 25' ' ' LEU . 30.4 mt -62.81 -50.76 69.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.479 ' HG3' ' CD2' ' A' ' 78' ' ' LEU . 1.5 tt0 -56.94 -37.15 71.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.82 -50.71 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.644 ' HH2' HG23 ' A' ' 140' ' ' ILE . 10.5 m0 -67.72 -15.81 63.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.509 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -64.99 -11.85 43.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 108.281 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -114.17 5.43 15.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.591 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.483 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 31.1 mmm -100.72 160.38 26.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -52.38 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.7 p90 -81.54 47.12 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.793 ' CE1' HG11 ' A' ' 43' ' ' VAL . 10.9 t80 -82.76 -72.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.603 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . . . -47.37 -55.06 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.12 -55.92 7.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 m -59.23 -74.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.793 HG11 ' CE1' ' A' ' 39' ' ' PHE . 13.8 m -39.28 -40.94 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.536 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 8.4 m -58.94 106.3 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.392 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.29 -10.37 9.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.803 ' SG ' HD11 ' A' ' 140' ' ' ILE . 63.7 m -94.07 170.36 9.59 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CG ' HD11 ' A' ' 20' ' ' LEU . 30.5 m-85 -123.44 128.13 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 25' ' ' LEU . 32.8 m -120.14 153.01 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.32 111.59 23.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.555 HG12 ' CD2' ' A' ' 98' ' ' PHE . 7.4 tp -100.44 150.22 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.23 105.33 1.85 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.036 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -50.11 -87.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.4 -80.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -161.46 176.44 11.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 0.797 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' SER . 28.6 t-80 -151.87 55.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.127 . . . . 0.0 109.641 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.2 t30 69.13 -72.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' HIS . 91.4 p -122.63 155.54 36.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.964 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.26 160.29 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.95 2.12 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.036 HG22 HD11 ' A' ' 52' ' ' ILE . 9.4 p -150.73 144.61 16.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -153.02 142.93 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.585 ' CG ' HD12 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -127.05 127.82 45.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.481 HG22 ' CE1' ' A' ' 108' ' ' PHE . 71.7 t -67.62 129.11 31.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -139.72 148.63 42.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 20.0 tt0 -113.66 131.73 56.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 ' HB ' ' A' ' 43' ' ' VAL . 38.7 mt -63.07 116.44 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.478 HG21 ' HB3' ' A' ' 90' ' ' ARG . 5.1 p -96.31 -8.42 32.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.33 -171.95 39.98 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.603 ' HB ' ' HB2' ' A' ' 40' ' ' ALA . 55.6 t -130.5 121.06 49.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' ' 86' ' ' GLY . 21.3 m -98.33 -176.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 10.2 pt-20 -137.54 118.11 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 74.5 p -88.62 171.96 9.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.91 -32.83 15.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.82 157.21 16.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.818 HG22 ' HB3' ' A' ' 84' ' ' ASN . 26.6 t -117.56 147.31 21.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.574 ' CE1' ' CG2' ' A' ' 83' ' ' THR . 36.3 p90 -133.57 157.72 44.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.966 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.6 155.04 40.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.502 HD21 HD22 ' A' ' 100' ' ' LEU . 9.0 tp -159.08 90.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.99 13.03 63.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 120.85 -34.61 3.99 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 78' ' ' LEU . 1.7 t -84.22 151.7 24.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.512 ' HB3' HG11 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -107.41 113.28 26.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.574 ' CG2' ' CE1' ' A' ' 76' ' ' TYR . 13.1 t -111.82 165.31 12.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.818 ' HB3' HG22 ' A' ' 75' ' ' VAL . 2.4 p-10 -135.99 11.6 3.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -93.48 129.08 39.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.801 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -100.21 116.54 5.61 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.132 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.724 HD11 HD22 ' A' ' 30' ' ' LEU . 5.6 mt -68.09 112.28 4.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 2.2 tt0 -77.26 110.2 11.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -118.73 140.64 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.478 ' HB3' HG21 ' A' ' 67' ' ' THR . 0.5 OUTLIER -114.17 156.88 23.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -134.87 99.86 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 66.53 -120.89 16.03 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -93.67 19.11 9.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.336 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.06 168.11 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -132.13 149.28 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.565 ' HD3' ' CZ ' ' A' ' 98' ' ' PHE . 15.0 mtt85 -153.08 -179.84 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.716 HG21 HG21 ' A' ' 70' ' ' VAL . 2.8 p -164.51 107.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 16.2 m-85 -103.71 -167.38 1.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 103' ' ' VAL . 6.7 mtt180 -108.61 168.5 9.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.502 HD22 HD21 ' A' ' 78' ' ' LEU . 5.6 mp -66.48 -35.46 80.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.7 pt-20 -57.73 -39.8 78.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.0 m-30 -79.68 -17.77 52.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.759 HG11 ' CD1' ' A' ' 30' ' ' LEU . 20.4 t -72.85 127.27 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.4 m -103.12 165.36 11.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -132.0 76.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -133.98 167.51 20.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.22 119.22 21.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 63' ' ' VAL . 7.7 m-85 -49.02 122.88 6.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HB2' ' A' ' 112' ' ' GLU . 11.3 t -83.75 158.35 21.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.34 -58.69 7.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -41.0 -73.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.485 ' HB2' HG22 ' A' ' 109' ' ' THR . 0.3 OUTLIER -47.49 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.515 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 38.2 t80 -34.74 -58.79 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 11.6 mmt -59.91 -42.84 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 111.017 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 112' ' ' GLU . 36.8 mmtt -55.68 -38.85 70.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.2 t90 -69.74 -45.24 68.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 108.014 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 121' ' ' PHE . 0.6 OUTLIER -50.39 -42.45 53.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.117 . . . . 0.0 109.302 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -45.85 -53.02 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.15 -40.59 67.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.917 ' HE2' HD23 ' A' ' 127' ' ' LEU . 30.4 mmm -71.28 -37.8 71.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' A' ' 117' ' ' LYS . 3.9 m-85 -70.34 -33.71 71.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 t -77.86 -45.06 25.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.21 -10.83 60.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 72.72 8.54 72.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.0 mtp -77.32 149.97 35.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.507 ' O ' ' CE ' ' A' ' 120' ' ' MET . 3.0 pt20 -90.84 157.63 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.917 HD23 ' HE2' ' A' ' 120' ' ' MET . 0.1 OUTLIER -96.27 -172.78 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' A' ' 14' ' ' VAL . 18.4 Cg_endo -75.02 130.2 13.03 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 12' ' ' GLN . 1.0 OUTLIER -80.46 138.68 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 110.4 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 12' ' ' GLN . 1.5 mm? -41.46 -30.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.91 -51.86 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 129' ' ' THR . 1.3 mt-10 -62.65 -41.36 99.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.604 HD13 HG21 ' A' ' 23' ' ' VAL . 1.1 mm -57.56 -52.75 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -60.82 -59.74 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.455 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -48.81 -49.9 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.483 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.6 tppt? -56.69 -58.92 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 140' ' ' ILE . 0.0 OUTLIER -40.43 -61.66 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 141' ' ' LYS . 0.9 OUTLIER -40.99 -45.98 2.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.271 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -43.76 68.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.803 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -59.85 -54.6 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.1 OUTLIER -43.13 -64.99 0.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -41.8 -36.87 1.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 110.318 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 140' ' ' ILE . . . -73.79 60.76 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 33.7 t -176.75 -55.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.037 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 152.35 147.36 4.57 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 154.23 42.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.779 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.7 m 57.36 109.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.988 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 30.0 t -136.16 83.82 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.52 1.137 . . . . 0.0 111.008 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m 58.3 103.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -167.89 153.11 6.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.02 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.89 164.12 12.45 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.16 167.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 0.752 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.6 161.74 35.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.57 111.96 0.35 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.528 1.143 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 130.41 13.24 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.541 1.811 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.48 87.35 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.1 -172.4 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.936 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.8 tt0 -101.87 132.59 21.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.3 Cg_endo -75.06 106.43 2.27 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.626 ' CG1' HD11 ' A' ' 133' ' ' ILE . 2.3 m 24.04 88.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.19 -33.54 58.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.63 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.92 173.49 5.47 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.527 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -75.02 -8.5 20.11 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.799 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.5 mt-10 -70.02 -53.89 15.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 57.9 mm-40 -50.08 -35.52 25.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.628 HD11 ' CG ' ' A' ' 47' ' ' PHE . 9.1 tp -73.75 -24.15 59.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 18' ' ' GLU . 1.7 m-20 -79.61 -19.39 49.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -73.08 -34.01 65.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.494 HG21 HD13 ' A' ' 133' ' ' ILE . 20.3 m -111.04 19.14 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.491 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 28.3 ttp85 -81.18 99.32 8.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.002 HD13 HD21 ' A' ' 30' ' ' LEU . 7.1 mt -53.43 158.66 1.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 27' ' ' ARG . 95.5 p -129.4 128.7 43.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.984 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 3.7 ttp-105 -35.83 -38.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.407 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 14.1 m170 -63.03 -58.95 5.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.497 ' O ' ' CD1' ' A' ' 33' ' ' TRP . 8.1 mtmm -51.67 -39.22 57.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 25' ' ' LEU . 20.5 mt -64.59 -55.82 17.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.41 -23.74 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 110.347 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 28' ' ' HIS . 1.9 mtt-85 -92.0 -50.71 5.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.443 1.089 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.956 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 7.7 m0 -68.87 -9.55 52.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.037 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.7 p -59.65 -16.31 25.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 108.269 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -18.34 13.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.618 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 33' ' ' TRP . 9.1 mmt -56.4 152.77 22.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.77 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.503 1.791 . . . . 0.0 110.961 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 39' ' ' PHE . 4.1 p90 -83.75 12.72 5.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.801 ' CE1' HG11 ' A' ' 43' ' ' VAL . 38.9 t80 -35.39 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.559 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -46.31 -46.22 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -54.0 -49.93 67.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 43' ' ' VAL . 20.3 m -67.65 -71.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.802 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.3 m -37.44 -35.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.4 m -66.58 111.04 3.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.82 -6.41 24.01 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.838 ' SG ' HD11 ' A' ' 140' ' ' ILE . 9.2 m -93.13 -177.09 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.628 ' CG ' HD11 ' A' ' 20' ' ' LEU . 38.2 m-85 -135.12 135.56 41.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.543 ' HB ' HG13 ' A' ' 103' ' ' VAL . 9.2 m -134.06 155.23 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 120.12 30.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.9 tp -101.77 154.75 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.418 ' C ' ' N ' ' A' ' 53' ' ' GLY . . . -113.67 85.3 0.39 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.927 HD11 HG21 ' A' ' 60' ' ' VAL . 38.7 pt -46.57 -25.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 0.724 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 51' ' ' GLY . . . -177.86 -144.25 5.4 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -160.68 91.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.5 m-70 -83.83 150.83 25.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.166 . . . . 0.0 109.593 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 58' ' ' LYS . 3.2 t-20 -58.19 169.82 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.0 t 68.33 -67.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -136.81 145.54 51.32 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.35 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 18.3 Cg_endo -74.97 161.69 38.43 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.927 HG21 HD11 ' A' ' 52' ' ' ILE . 11.5 p -103.46 138.23 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -149.17 137.7 21.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 50' ' ' ILE . 2.8 mtt180 -135.41 126.95 28.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.062 HG22 ' CE1' ' A' ' 108' ' ' PHE . 91.3 t -58.78 143.47 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.754 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -144.07 152.17 40.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -113.85 128.78 56.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.529 HG21 HG23 ' A' ' 43' ' ' VAL . 29.6 mt -73.29 110.17 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.462 ' CG2' ' HB2' ' A' ' 90' ' ' ARG . 18.2 p -90.99 -9.17 46.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.31 -165.06 38.37 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 67.5 t -137.1 124.88 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 86' ' ' GLY . 24.5 m -98.54 -177.39 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.521 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 5.4 pt-20 -134.57 116.49 15.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.8 p -84.22 166.86 17.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.428 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.57 -42.17 18.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -110.09 139.8 44.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.886 HG12 ' HB3' ' A' ' 84' ' ' ASN . 0.7 OUTLIER -87.51 153.12 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.58 ' CE2' ' HD2' ' A' ' 99' ' ' ARG . 10.0 p90 -120.8 173.87 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -83.67 135.85 34.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 100' ' ' LEU . 31.3 tp -127.0 59.45 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.75 -30.56 4.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -173.95 -44.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.5 t -84.92 144.58 28.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 110.454 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.616 ' HB3' HG21 ' A' ' 75' ' ' VAL . 0.5 OUTLIER -103.27 111.3 23.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.2 t -117.4 143.67 45.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.886 ' HB3' HG12 ' A' ' 75' ' ' VAL . 3.3 p-10 -105.63 32.18 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -101.02 145.68 28.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.607 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -123.19 116.92 3.08 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.592 HD12 HG21 ' A' ' 103' ' ' VAL . 6.6 mt -70.9 115.33 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.508 HE21 HG13 ' A' ' 70' ' ' VAL . 1.7 tt0 -79.22 95.54 5.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.754 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 5.2 mt -96.71 154.65 17.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.462 ' HB2' ' CG2' ' A' ' 67' ' ' THR . 4.2 ttt85 -121.12 155.42 34.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -149.95 115.5 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.638 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 63.56 -105.2 1.0 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -124.8 10.61 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.57 155.11 28.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.402 ' CG ' ' N ' ' A' ' 96' ' ' ARG . 9.3 tt0 -108.18 155.16 20.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.51 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 42.4 mtt85 -143.08 175.53 9.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.278 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 t -147.26 105.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 85.6 m-85 -110.47 -171.76 1.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.58 ' HD2' ' CE2' ' A' ' 76' ' ' TYR . 4.9 mmt85 -121.86 160.66 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 9.1 mp -61.06 -33.18 72.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 6.0 pt-20 -61.61 -24.48 66.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.23 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 15.7 m-30 -98.72 -1.97 39.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.592 HG21 HD12 ' A' ' 87' ' ' LEU . 15.0 t -86.27 91.85 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 163.78 4.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 106' ' ' GLN . 11.2 p30 -112.86 -160.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.491 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 11.8 tt0 78.36 166.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.433 ' HA ' ' OD1' ' A' ' 21' ' ' ASN . 2.3 mt-10 -78.37 142.48 37.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 1.062 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.1 m-85 -49.9 177.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.2 p -125.72 137.15 53.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -47.76 -29.25 2.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.5 t -73.26 -69.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.407 ' HB3' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -41.44 -46.55 3.45 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 29.5 t80 -50.94 -49.34 60.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 15.4 mmt -71.83 -40.45 69.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -61.74 -42.75 99.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.413 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 t90 -67.91 -46.69 70.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 107.978 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 120' ' ' MET . 1.1 mtpp -46.28 -48.28 18.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -40.88 -52.44 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -52.59 -42.99 65.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.807 ' HE2' HD23 ' A' ' 127' ' ' LEU . 27.2 mmm -69.18 -40.12 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -67.29 -33.04 74.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.3 t -77.25 -42.91 35.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.78 -3.16 33.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.29 28.59 67.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.115 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.466 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -87.26 -172.16 3.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 111.016 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.501 ' O ' ' CE ' ' A' ' 120' ' ' MET . 5.7 mm-40 -126.77 148.49 49.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.906 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.2 OUTLIER -92.04 -177.54 0.75 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.613 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.0 128.99 11.92 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.483 1.78 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 132' ' ' GLU . 2.2 p -80.68 140.19 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.9 OUTLIER -40.99 -29.53 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 129' ' ' THR . 0.2 OUTLIER -68.69 -52.06 34.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.296 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 129' ' ' THR . 26.0 mm-40 -62.16 -38.55 89.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.626 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -59.76 -49.96 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -61.25 -60.28 3.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 136' ' ' LYS . 0.0 OUTLIER -49.07 -49.41 41.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.656 ' O ' HD12 ' A' ' 140' ' ' ILE . 15.7 tppt? -59.84 -53.21 60.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 140' ' ' ILE . 36.7 tt0 -43.36 -63.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.559 HD13 ' HD3' ' A' ' 141' ' ' LYS . 3.6 mm? -42.82 -46.61 5.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -41.34 61.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.838 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.5 mp -66.56 -49.78 72.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.559 ' HD3' HD13 ' A' ' 138' ' ' LEU . 0.0 OUTLIER -46.83 -59.02 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -42.36 -58.26 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -47.64 -59.06 3.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.42 100.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 166.32 101.44 0.15 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.163 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.3 t -156.0 172.64 18.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.61 -57.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.059 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.95 171.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.006 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 61.95 157.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.35 110.7 0.72 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -178.94 154.71 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.779 . . . . 0.0 109.984 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.55 154.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.16 154.39 17.98 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 145.31 31.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.947 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 135.35 18.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.47 96.3 2.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.434 ' CB ' ' HB ' ' A' ' 129' ' ' THR . 2.7 m -173.4 -178.34 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.026 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.994 ' O ' HD22 ' A' ' 130' ' ' LEU . 1.5 tt0 -107.48 132.41 21.0 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.923 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.2 Cg_endo -74.92 110.38 3.1 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.523 1.801 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.63 ' C ' ' O ' ' A' ' 13' ' ' PRO . 3.1 m 19.66 88.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.39 -32.93 63.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.022 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -133.44 173.05 6.32 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.585 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.3 Cg_endo -74.99 -8.92 20.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 21' ' ' ASN . 4.4 mt-10 -68.79 -62.58 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HG3' ' CD1' ' A' ' 130' ' ' LEU . 56.7 mm-40 -42.11 -45.76 4.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD13 ' HG2' ' A' ' 128' ' ' PRO . 6.5 tp -63.7 -39.71 94.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 18' ' ' GLU . 2.2 m-20 -62.3 -30.16 70.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -63.92 -29.77 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 133' ' ' ILE . 25.3 m -115.65 28.58 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.41 103.35 15.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.088 HD13 HD21 ' A' ' 30' ' ' LEU . 9.3 mt -55.56 163.3 1.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 27' ' ' ARG . 68.8 m -139.19 139.72 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.007 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 26' ' ' SER . 6.8 ttp85 -36.94 -43.78 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 110.313 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.68 -67.64 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.561 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 33' ' ' TRP . 17.2 mttp -44.89 -36.92 3.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.088 HD21 HD13 ' A' ' 25' ' ' LEU . 91.1 mt -70.75 -46.09 63.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.61 -25.15 66.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -90.84 -51.07 5.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.919 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 10.8 m0 -67.8 -16.42 64.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.019 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -65.46 -16.45 63.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' ' O ' ' A' ' 32' ' ' ARG . 0.1 OUTLIER -108.99 4.81 23.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.474 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 26.0 mmm -101.04 159.32 29.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.53 1.805 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -83.08 45.5 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' O ' HG13 ' A' ' 43' ' ' VAL . 58.9 t80 -79.74 -69.35 0.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.566 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.83 -45.23 74.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -49.1 73.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 44' ' ' THR . 45.6 m -69.43 -71.38 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.883 ' HA ' HD11 ' A' ' 25' ' ' LEU . 7.6 m -36.4 -34.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.2 m -68.05 108.69 3.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.84 -11.78 17.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.138 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' ' 140' ' ' ILE . 15.8 m -96.37 156.84 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 24.6 m-85 -98.74 156.06 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 66' ' ' ILE . 17.0 m -145.3 146.5 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.55 113.66 25.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 62' ' ' ARG . 4.8 tp -101.23 150.06 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.01 105.54 1.25 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.107 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.078 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -53.66 -100.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 0.755 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.34 111.79 0.55 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -84.91 151.18 24.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.769 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.92 -68.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.606 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -167.13 -177.01 3.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.65 -76.07 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -135.09 147.61 63.24 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 58' ' ' LYS . 18.5 Cg_endo -74.97 -173.74 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.078 HG22 HD11 ' A' ' 52' ' ' ILE . 12.6 p -148.2 145.34 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -153.55 151.81 30.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.721 ' O ' HG22 ' A' ' 50' ' ' ILE . 5.0 mmp_? -133.93 123.53 24.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.841 HG22 ' CE1' ' A' ' 108' ' ' PHE . 49.5 t -80.91 128.83 38.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.404 ' CB ' ' HB3' ' A' ' 89' ' ' LEU . . . -137.41 152.94 50.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -108.46 126.55 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.579 ' CD1' HD12 ' A' ' 25' ' ' LEU . 14.6 mt -62.18 131.14 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.4 p -112.58 0.44 15.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.2 -171.19 35.67 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 85' ' ' LYS . 77.5 t -134.02 124.97 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 0.794 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.844 HG22 ' O ' ' A' ' 86' ' ' GLY . 19.1 m -99.32 -176.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 71' ' ' GLU . 7.3 pt-20 -136.32 119.06 16.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.537 1.148 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.4 p -92.72 -172.03 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -109.28 -29.07 8.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -94.81 149.01 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 84' ' ' ASN . 23.7 t -118.3 151.27 20.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.585 ' CD2' ' HD3' ' A' ' 99' ' ' ARG . 29.2 p90 -141.38 157.79 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' N ' ' A' ' 78' ' ' LEU . 39.7 tt0 -69.97 151.55 45.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.493 ' O ' HG22 ' A' ' 81' ' ' THR . 12.6 tp -152.71 92.42 1.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 62.66 16.39 55.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.91 -41.85 1.78 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 78' ' ' LEU . 12.6 t -83.83 144.77 29.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.765 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.527 ' HB3' ' CG1' ' A' ' 75' ' ' VAL . 4.1 mmm-85 -102.44 113.16 26.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.4 t -113.08 167.98 10.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 110.365 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.896 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.6 p-10 -140.13 14.77 2.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' HD3' HG11 ' A' ' 69' ' ' VAL . 31.7 mttt -84.62 123.0 29.85 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.844 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -93.26 106.63 3.44 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.758 HD12 HG21 ' A' ' 103' ' ' VAL . 7.0 mt -61.98 115.15 3.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 0.743 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HG3' HG22 ' A' ' 97' ' ' VAL . 1.7 tt0 -78.41 96.01 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.441 HD21 ' HB3' ' A' ' 87' ' ' LEU . 6.3 mt -95.48 157.43 15.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.4 115.63 9.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' ASP . 48.2 t60 -100.68 106.15 17.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.579 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.505 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 58.67 -123.06 32.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.83 21.54 7.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' HIS . 0.4 OUTLIER -128.85 131.77 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.16 152.77 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 11.5 mtt180 -150.19 -179.19 6.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 88' ' ' GLN . 71.6 t -153.67 109.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.577 ' CD2' HG12 ' A' ' 50' ' ' ILE . 73.5 m-85 -113.13 -169.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.585 ' HD3' ' CD2' ' A' ' 76' ' ' TYR . 26.5 mtt180 -115.11 168.38 9.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 30' ' ' LEU . 10.4 mp -67.07 -37.21 83.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 102' ' ' PHE . 12.2 pt-20 -54.19 -42.53 69.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 101' ' ' GLU . 22.6 m-85 -77.5 -23.85 50.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.796 HG11 ' CD1' ' A' ' 30' ' ' LEU . 5.8 t -65.49 94.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.63 162.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -111.49 -33.79 6.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -48.55 175.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -99.18 159.38 15.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.841 ' CE1' HG22 ' A' ' 63' ' ' VAL . 8.0 m-85 -65.1 142.72 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.474 HG22 ' HB2' ' A' ' 112' ' ' GLU . 10.9 t -117.79 156.07 28.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.397 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 111' ' ' SER . 40.2 tt0 -43.54 -66.15 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -38.2 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.474 ' HB2' HG22 ' A' ' 109' ' ' THR . 6.2 mm-40 -41.8 -65.79 0.41 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.585 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 31.9 t80 -38.05 -50.04 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 13.6 mmt -71.52 -36.69 71.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 112' ' ' GLU . 45.3 mmtt -62.41 -45.55 92.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.494 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 2.5 t90 -66.29 -49.39 67.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 120' ' ' MET . 0.7 OUTLIER -42.5 -48.0 5.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -42.48 -49.61 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -54.35 -42.09 69.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.705 ' HE2' HD23 ' A' ' 127' ' ' LEU . 20.4 mmm -69.94 -40.33 75.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.46 -34.27 75.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 t -74.5 -42.18 59.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.11 -2.14 39.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.68 38.89 94.47 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.505 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -97.77 -173.9 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 111.023 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.513 ' O ' ' CE ' ' A' ' 120' ' ' MET . 68.1 mt-30 -126.24 149.1 49.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -93.77 -175.86 0.52 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.599 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.01 119.55 5.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.017 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 132' ' ' GLU . 1.5 p -71.76 140.87 49.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.994 HD22 ' O ' ' A' ' 12' ' ' GLN . 0.6 OUTLIER -43.04 -36.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.08 -45.29 77.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 129' ' ' THR . 0.4 OUTLIER -65.92 -38.76 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.314 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.571 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.3 mm -57.48 -70.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . 0.534 ' CA ' ' HG3' ' A' ' 137' ' ' GLU . 8.5 t-20 -36.13 -60.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -49.92 -44.26 50.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 133' ' ' ILE . 15.6 tppt? -63.16 -59.02 5.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 133' ' ' ILE . 3.3 mt-10 -33.58 -52.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 138' ' ' LEU . 1.2 mm? -42.0 -62.63 0.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.8 t -40.01 -34.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.701 HG23 ' HH2' ' A' ' 33' ' ' TRP . 4.8 mp -84.99 -51.92 13.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.51 ' HD2' ' CB ' ' A' ' 137' ' ' GLU . 1.3 mttp -48.7 -42.33 34.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -47.11 -56.74 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.329 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -48.95 -58.39 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.9 p -93.27 90.9 6.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 110.02 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -156.79 100.6 0.19 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -40.25 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.479 1.778 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.32 164.94 3.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.66 122.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.148 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.72 114.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 0.724 . . . . 0.0 110.016 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 p -162.14 159.79 26.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.73 122.3 0.73 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -179.8 147.91 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 0.764 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.9 t -146.89 152.5 38.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.75 105.16 0.45 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.573 1.17 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.89 42.96 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 169.66 22.14 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.551 1.816 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.21 80.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.438 ' HB3' ' CG2' ' A' ' 129' ' ' THR . 4.3 t -159.26 -169.73 2.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.796 ' O ' HD22 ' A' ' 130' ' ' LEU . 2.1 tt0 -110.79 132.67 21.5 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.251 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.939 ' HB2' HD12 ' A' ' 127' ' ' LEU . 18.0 Cg_endo -75.04 107.97 2.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' ' O ' ' A' ' 13' ' ' PRO . 2.5 m 22.97 89.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -34.34 31.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -135.92 173.67 5.4 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.58 ' HB3' ' CG ' ' A' ' 113' ' ' PHE . 18.2 Cg_endo -75.02 -17.92 19.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 21' ' ' ASN . 7.4 mt-10 -61.98 -49.42 76.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.74 ' CD ' HD12 ' A' ' 130' ' ' LEU . 34.6 mm-40 -50.75 -40.86 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HG2' ' A' ' 128' ' ' PRO . 7.7 tp -68.41 -21.44 64.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 2.1 m-20 -84.03 -10.14 58.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 18' ' ' GLU . 11.2 mtp180 -87.16 1.14 53.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 133' ' ' ILE . 8.4 m -147.85 20.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.487 ' CZ ' ' O ' ' A' ' 106' ' ' GLN . 0.1 OUTLIER -81.46 82.58 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 30' ' ' LEU . 7.2 mt -38.39 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 27' ' ' ARG . 32.3 t -127.59 134.47 49.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -37.32 -44.6 0.62 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -60.89 2.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -50.54 -44.32 56.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 25' ' ' LEU . 25.1 mt -61.46 -44.19 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -30.68 69.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.442 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 2.2 mtt180 -85.14 -49.68 8.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.816 ' CZ3' HD21 ' A' ' 25' ' ' LEU . 12.9 m0 -68.01 -14.89 63.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 108.05 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -65.76 -18.07 65.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.298 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 32' ' ' ARG . 4.4 p-80 -107.49 5.04 26.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.591 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.484 ' CG ' ' HA ' ' A' ' 33' ' ' TRP . 28.3 mmm -100.56 159.71 28.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -47.33 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -82.62 46.04 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.648 ' O ' HG13 ' A' ' 43' ' ' VAL . 57.1 t80 -79.05 -72.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.604 ' HA ' HG22 ' A' ' 43' ' ' VAL . . . -54.14 -45.43 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -49.23 68.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.452 ' O ' ' NZ ' ' A' ' 136' ' ' LYS . 78.1 m -70.16 -72.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 110.438 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.778 ' HA ' HD11 ' A' ' 25' ' ' LEU . 5.0 m -35.51 -38.08 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 4.5 m -62.41 110.13 1.57 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.02 -4.03 25.59 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.562 ' SG ' HD11 ' A' ' 140' ' ' ILE . 1.6 m -95.23 179.55 5.15 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' CZ ' ' HG3' ' A' ' 128' ' ' PRO . 37.7 m-85 -130.31 140.26 50.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.087 . . . . 0.0 111.058 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.578 ' HB ' HG13 ' A' ' 103' ' ' VAL . 27.8 m -136.55 146.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -85.84 112.69 21.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 62' ' ' ARG . 6.5 tp -102.33 148.31 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.58 103.27 1.42 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 1.059 HD11 HG22 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -45.72 -88.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.417 ' O ' ' CB ' ' A' ' 54' ' ' ASN . . . -112.19 -143.69 9.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 53' ' ' GLY . 2.2 t-20 161.59 112.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.31 114.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.58 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 65.77 144.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.6 m 58.02 169.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.87 163.22 0.18 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -172.68 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.46 1.768 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.059 HG22 HD11 ' A' ' 52' ' ' ILE . 7.2 p -140.29 145.08 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD1' ' HD2' ' A' ' 49' ' ' ARG . 26.6 m-85 -149.72 149.56 30.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 50' ' ' ILE . 7.2 mmp_? -132.98 124.32 27.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.719 HG22 ' CE1' ' A' ' 108' ' ' PHE . 38.3 t -64.09 126.97 23.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.591 ' HB1' ' HB3' ' A' ' 89' ' ' LEU . . . -131.46 149.95 52.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HB2' ' CE2' ' A' ' 47' ' ' PHE . 12.9 tt0 -109.93 130.13 55.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.529 HD12 HD12 ' A' ' 25' ' ' LEU . 4.4 mt -64.68 130.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 90' ' ' ARG . 6.9 p -113.33 -15.02 12.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.4 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.96 -169.23 41.71 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.433 HG21 ' HA ' ' A' ' 40' ' ' ALA . 73.0 t -133.97 121.09 37.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.558 0.799 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 86' ' ' GLY . 26.8 m -98.63 174.69 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -119.87 149.59 41.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.9 p -124.47 179.23 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -106.23 -29.91 9.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.135 . . . . 0.0 109.222 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -94.02 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB3' ' A' ' 84' ' ' ASN . 17.6 t -116.16 148.22 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.578 ' CE2' ' CD ' ' A' ' 99' ' ' ARG . 37.5 p90 -137.29 162.16 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -77.07 148.05 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 81' ' ' THR . 21.0 tp -147.05 78.08 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.37 23.03 78.53 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.58 -41.27 2.11 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 78' ' ' LEU . 11.4 t -84.13 144.39 29.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.42 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HD3' HG12 ' A' ' 75' ' ' VAL . 2.4 mtt180 -104.95 112.8 26.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 t -114.37 154.51 27.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.849 ' HB3' HG22 ' A' ' 75' ' ' VAL . 4.7 p-10 -129.25 36.47 4.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.415 ' HE3' ' CD2' ' A' ' 39' ' ' PHE . 25.5 mtmm -111.08 124.99 53.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.527 ' O ' HG22 ' A' ' 70' ' ' VAL . . . -90.18 117.67 5.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 97' ' ' VAL . 5.6 mt -75.13 111.95 10.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.493 ' HA ' ' HB ' ' A' ' 97' ' ' VAL . 2.1 tt0 -75.84 111.09 10.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.591 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 13.6 mt -115.53 124.29 50.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 67' ' ' THR . 23.0 ttp180 -115.3 126.98 55.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' NE2' ' HB3' ' A' ' 119' ' ' ALA . 19.9 t-160 -120.83 124.43 45.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.499 ' O ' ' CE ' ' A' ' 125' ' ' MET . . . 51.38 -133.58 34.03 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -90.68 19.83 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 91' ' ' HIS . 0.5 OUTLIER -127.34 124.78 39.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 149.57 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.6 OUTLIER -159.06 -177.2 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 87' ' ' LEU . 3.5 p -163.93 125.09 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.458 ' CG ' HG12 ' A' ' 50' ' ' ILE . 19.4 m-85 -116.62 -164.51 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' CD ' ' CE2' ' A' ' 76' ' ' TYR . 8.5 mmp_? -106.43 158.53 16.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 8.7 mp -62.77 -28.58 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.562 ' HG3' ' CE1' ' A' ' 102' ' ' PHE . 5.3 pt-20 -64.96 -25.56 67.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 18.8 m-30 -96.7 -5.96 37.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.707 HG11 ' CD1' ' A' ' 30' ' ' LEU . 18.8 t -78.62 111.34 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.454 ' CB ' ' HB3' ' A' ' 49' ' ' ARG . 5.9 t -55.23 177.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -150.6 40.64 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' CZ ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -123.28 -178.48 4.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.67 139.7 30.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.719 ' CE1' HG22 ' A' ' 63' ' ' VAL . 3.9 m-85 -62.03 120.02 10.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.049 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.44 148.98 27.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 111' ' ' SER . 42.3 tt0 -42.12 -62.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 112' ' ' GLU . 3.5 m -38.19 -67.45 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 111' ' ' SER . 2.2 mm-40 -37.38 -62.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 12.9 t80 -42.36 -60.41 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 mmt -59.89 -59.96 4.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.06 -45.89 16.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.088 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.52 ' CG ' ' HB ' ' A' ' 63' ' ' VAL . 8.3 t90 -67.79 -50.71 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.005 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.71 -45.13 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -44.74 -52.97 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.526 ' HB3' ' NE2' ' A' ' 91' ' ' HIS . . . -52.59 -43.64 65.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.68 ' HE2' HD23 ' A' ' 127' ' ' LEU . 28.2 mmm -68.23 -41.02 81.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -67.87 -34.76 77.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -75.2 -42.63 55.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.959 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.52 -3.02 31.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.38 32.61 77.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -94.14 -175.0 3.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 111.007 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.492 ' O ' ' CE ' ' A' ' 120' ' ' MET . 63.1 mt-30 -123.48 148.7 45.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.939 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -90.95 -174.39 0.44 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.618 ' HG3' ' CZ ' ' A' ' 47' ' ' PHE . 18.3 Cg_endo -75.05 128.66 11.62 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.489 1.784 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.438 ' CG2' ' HB3' ' A' ' 11' ' ' SER . 0.9 OUTLIER -78.51 139.23 38.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.796 HD22 ' O ' ' A' ' 12' ' ' GLN . 2.9 mm? -38.41 -39.59 0.47 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -56.7 -60.6 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 136' ' ' LYS . 1.6 mt-10 -50.66 -45.42 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.505 HD11 ' CG1' ' A' ' 14' ' ' VAL . 1.2 mm -57.51 -55.66 19.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -55.84 -60.93 2.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 3.9 mtpt -50.8 -54.39 23.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 140' ' ' ILE . 3.5 tppt? -53.55 -56.1 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.423 ' HG2' ' CD ' ' A' ' 141' ' ' LYS . 18.0 tt0 -40.0 -62.59 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 138' ' ' LEU . 3.3 mm? -44.23 -52.95 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.359 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.54 -45.64 13.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 136' ' ' LYS . 3.2 mp -62.77 -55.59 22.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.423 ' CD ' ' HG2' ' A' ' 137' ' ' GLU . 1.0 OUTLIER -44.93 -56.86 4.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -47.18 -59.71 2.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . . . . . . . . . . . -41.16 -59.8 1.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 6.4 t -160.65 144.28 13.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.954 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 101.17 103.81 2.68 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.439 1.087 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.426 1.75 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.06 126.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 40.8 p -171.18 107.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.966 . . . . . . . . 0 0 . 1 stop_ save_