data_2ahq_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 2ahq _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 ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.06 -32.18 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.22 62.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.17 -38.85 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.556 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 3.7 mtp -52.9 -61.8 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -28.17 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.48 -44.28 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 19.3 mt -66.52 -44.87 90.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -39.87 94.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -37.1 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.634 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -67.68 -26.27 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.73 10.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 2.4 tm-20 -70.67 -28.65 64.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.458 ' ND2' ' OE1' ' A' ' 30' ' ' GLU . 6.7 m-80 -139.65 49.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.2 -151.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -157.51 154.39 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -48.34 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -86.34 5.91 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.1 63.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 156.5 43.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.648 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 30.2 m-85 -86.31 58.82 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -65.86 168.73 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 p-10 -44.42 -35.77 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.3 tp60 -65.02 -48.47 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' ASN . 2.5 tp10 -61.35 -70.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -42.52 -46.33 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.87 -42.54 84.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.508 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.9 m-80 -65.15 -38.74 91.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 6.1 mt -50.99 -43.82 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -36.02 48.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -17.03 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.23 142.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' ALA . 6.9 mmm-85 -33.19 -45.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -55.71 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.508 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -60.35 -42.89 96.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.8 t -62.76 -43.13 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.23 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -45.21 92.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 5.8 m-85 -67.5 -41.64 84.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -41.4 18.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -37.97 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.9 mtm -67.55 -18.9 65.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -34.02 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -37.46 58.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -66.91 -35.51 80.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -38.86 -40.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 5.2 mtp -53.82 -54.27 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.23 -26.38 66.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 2.8 tt -66.44 -43.31 85.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 28.5 mt -68.06 -44.05 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -33.92 76.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.055 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -39.88 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -68.07 -39.2 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG2' ' CD1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -81.1 -2.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -11.73 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -158.69 52.29 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -62.12 -156.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.7 162.12 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -68.45 -67.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -74.55 -4.24 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 79.06 25.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' OE1' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.624 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 2.3 m-85 -153.29 51.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.74 169.52 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 5.6 p-10 -46.21 -33.29 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.6 tp60 -64.76 -56.25 14.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -62.5 -64.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -41.92 -47.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.59 -44.18 85.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 7.9 m-80 -68.55 -24.54 64.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 HD12 ' CE1' ' A' ' 38' ' ' TYR . 7.4 mt -72.31 -48.44 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.492 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.17 -29.19 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -56.76 -35.1 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 161.03 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -32.32 -46.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -61.12 -53.15 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 m -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -56.58 -45.82 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.3 64.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -64.12 -43.57 94.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.1 m-85 -66.11 -40.43 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -41.8 56.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.26 -39.24 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.3 mtm -67.52 -36.79 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.492 ' CD2' HG23 ' A' ' 25' ' ' ILE . 1.6 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -54.87 -32.43 60.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.25 -36.66 63.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.82 -39.02 87.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.44 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 13.6 mtp -53.48 -58.28 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -28.19 67.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.32 -42.3 88.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.6 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -65.26 -45.16 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -30.58 71.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -38.78 83.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -65.56 -37.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.91 -2.2 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.31 -28.97 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.14 51.69 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.34 -157.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -157.84 145.68 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -76.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -7.31 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 33' ' ' ASP . 7.4 mttt -131.92 79.93 66.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -160.44 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.634 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.4 m-85 -153.41 53.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -75.31 177.9 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -46.44 -32.89 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.554 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 28.7 tp60 -65.24 -73.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -41.29 -66.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -43.78 -49.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.35 -43.18 88.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.3 m120 -62.72 -38.86 92.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 48.9 mt -51.0 -44.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -51.35 -35.85 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -56.9 -18.36 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG11 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . 174.15 148.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 28.4 mtp180 -32.29 -47.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -54.65 42.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.523 ' CG2' HG11 ' A' ' 54' ' ' VAL . 1.2 m -60.33 -43.22 96.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -62.54 -40.88 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.42 91.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.2 m-85 -67.06 -40.36 87.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -41.51 70.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -38.89 77.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.1 mtm -67.73 -37.6 82.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.08 -33.21 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.35 52.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -40.57 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -40.53 85.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.497 ' HE1' ' CD2' ' A' ' 66' ' ' LEU . 20.3 mtp -54.78 -59.58 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -28.93 68.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -44.09 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.58 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 17.4 mt -66.57 -46.68 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.94 -22.89 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 5.5 mt-10 -67.06 -39.78 86.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.2 mp -68.02 -25.95 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -91.72 20.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 45.2 mt-10 -68.64 -29.34 67.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -147.42 54.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.619 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -62.06 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 4.5 t70 -159.63 146.86 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -67.7 -41.13 84.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -67.0 -51.75 51.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.98 75.65 78.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -74.99 158.34 42.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.619 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.7 m-85 -85.78 62.32 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -67.71 -175.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 4.0 p30 -57.32 -34.75 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.515 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.31 -48.82 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.7 tt0 -61.7 -70.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.491 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.71 -46.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.21 -43.72 83.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -65.9 -31.77 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 16.3 mt -66.1 -50.47 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.34 -34.53 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -15.25 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 53.6 mt-10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG12 ' CG2' ' A' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 163.85 140.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.8 mmm180 -32.12 -46.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -54.56 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.544 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.1 m -60.13 -46.12 90.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.491 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.5 t -59.8 -46.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.61 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -63.28 -43.21 98.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.58 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.2 m-85 -64.56 -42.59 95.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -51.96 -42.11 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.94 -36.86 72.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.412 ' SD ' ' HE2' ' A' ' 22' ' ' MET . 10.5 mtm -67.95 -24.81 65.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.497 ' CD2' ' HE1' ' A' ' 22' ' ' MET . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.415 ' OG1' ' CG ' ' A' ' 20' ' ' GLU . 8.5 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -34.32 40.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.62 49.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 mm-40 -59.17 -41.09 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -51.53 -41.32 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.513 ' SD ' ' CD2' ' A' ' 66' ' ' LEU . 39.2 tpp -55.65 -60.28 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -31.75 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.88 -43.97 82.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.81 -44.98 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 2.3 tttt -65.64 -34.29 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.85 -39.85 65.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.581 HG22 ' CD2' ' A' ' 38' ' ' TYR . 2.1 mt -67.92 -40.38 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.12 -2.4 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' LYS . 1.6 tm-20 -48.32 -29.82 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 2.0 p30 -158.8 44.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -40.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -84.56 157.59 21.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -71.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -5.9 47.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 10.6 mtpp -133.12 81.41 56.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.3 Cg_endo -75.0 -158.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 11.7 m-85 -152.59 61.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -171.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 5.7 p-10 -58.7 -34.84 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -64.23 -50.03 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 2.3 tp10 -63.03 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.508 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -43.83 -46.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.31 -43.43 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.511 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 3.6 m-80 -67.81 -28.65 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 4.2 mt -66.15 -37.81 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.491 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -55.84 -35.83 66.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -56.62 -25.71 53.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 3.5 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 159.04 148.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 42.9 mtp180 -33.33 -46.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -53.94 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' CE2' ' A' ' 62' ' ' TYR . 1.3 m -60.08 -45.44 92.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -59.77 -45.71 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.17 65.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.14 -43.56 94.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 7.9 m-85 -65.23 -41.28 94.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.14 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.61 -34.62 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.513 ' CD2' ' SD ' ' A' ' 22' ' ' MET . 1.7 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -34.61 60.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.82 59.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -67.15 -40.41 86.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -57.46 -40.64 78.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.481 ' HE1' ' CB ' ' A' ' 65' ' ' MET . 41.4 tpp -54.79 -65.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 mttt -60.51 -28.28 68.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 11.4 mt -66.12 -44.33 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.522 HD13 ' CG ' ' A' ' 62' ' ' TYR . 6.0 mt -65.56 -43.17 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' CA ' HD12 ' A' ' 66' ' ' LEU . 1.3 ttpm? -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -53.56 -37.44 62.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.639 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 6.8 mt -67.78 -31.59 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.87 17.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.77 -28.77 66.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -148.88 56.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.657 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.08 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -157.92 150.36 22.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.29 -31.4 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.41 -6.56 54.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.88 69.29 1.01 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.01 42.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.2 m-85 -85.67 64.5 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 m -71.04 168.32 17.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -42.02 -34.78 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.517 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.6 tp60 -64.94 -47.35 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.601 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.5 tt0 -62.21 -70.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.488 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.41 -46.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.41 -43.74 84.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.517 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -64.12 -39.11 93.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 13.9 mt -55.19 -36.17 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.62 -29.92 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -56.49 -26.15 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.577 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 2.0 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . 170.96 138.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 ptm180 -33.43 -44.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.63 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.577 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -61.25 -40.22 93.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 43' ' ' ILE . 3.5 t -63.47 -40.7 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.71 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -63.96 -42.94 97.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CG ' HD13 ' A' ' 25' ' ' ILE . 13.1 m-85 -62.61 -39.39 93.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -49.9 -41.88 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.24 -39.03 75.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.481 ' CB ' ' HE1' ' A' ' 22' ' ' MET . 28.8 mtm -67.64 -37.29 82.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 4.3 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' GLU . 2.1 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.3 mp0 -41.87 -34.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -76.95 -38.94 29.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.097 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 17' ' ' THR . 2.0 mm-40 -67.38 -44.4 79.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.96 -39.59 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 4.2 mtp -52.26 -60.26 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -27.73 64.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 28' ' ' ILE . 1.3 mt -66.0 -44.88 83.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.602 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 11.2 mt -68.0 -45.05 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.97 95.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.33 -36.54 71.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -67.77 -29.73 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.81 15.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.17 -28.93 65.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -146.27 54.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.652 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.1 -157.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 10.4 t0 -160.64 150.87 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -40.35 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -78.97 -8.73 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 68.88 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.502 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.0 158.89 41.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.652 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 45.5 m-85 -85.91 58.72 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 168.37 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -48.5 -35.1 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.505 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.3 tp60 -66.56 -50.3 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.499 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.6 tt0 -64.64 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -41.21 -44.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.553 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.11 -45.32 83.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.505 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 10.3 m-80 -67.77 -23.59 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -34.31 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -56.32 -38.22 70.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -41.87 80.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.549 ' HB ' ' CD2' ' A' ' 47' ' ' LEU . 1.1 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 173.53 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -38.05 -47.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -46.0 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.523 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.6 m -67.85 -43.76 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -64.12 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.58 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -44.77 92.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.4 m-85 -66.87 -41.81 86.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -47.05 -40.8 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -38.34 73.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 23.7 mtm -67.87 -18.64 64.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -33.08 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.61 -41.66 50.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.11 -40.4 76.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -40.55 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.6 mtp -56.57 -60.62 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -60.28 -26.58 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.3 -43.82 85.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.631 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 6.0 mt -67.55 -44.74 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -63.38 -31.04 72.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -39.27 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.696 ' CG2' ' CD1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.74 -42.33 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.88 3.23 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.19 -22.01 63.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -156.92 58.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 1.7 pt-20 -62.14 -158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.23 164.22 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.78 -67.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -3.54 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.16 78.31 15.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -160.59 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 2.4 m-85 -153.22 53.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 168.78 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.487 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -48.49 -27.73 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.597 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 12.9 tp60 -67.98 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.62 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 tt0 -55.46 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.539 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -34.41 -37.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 40' ' ' ASP . . . -57.9 -53.89 53.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.62 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -68.67 -12.46 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.539 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 5.9 mt -81.56 -47.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.79 -35.57 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -38.58 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 159.28 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -32.4 -44.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -55.32 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.52 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.1 m -60.4 -48.06 83.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.497 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.5 t -57.11 -43.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.09 59.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.631 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 6.4 m-85 -65.54 -40.31 92.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -41.02 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.76 79.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -67.76 -37.55 82.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 1.1 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -34.1 57.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.89 -35.24 58.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.08 -40.14 86.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' OH ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -59.23 -40.97 87.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.43 ' HE1' ' CB ' ' A' ' 65' ' ' MET . 27.7 ttm -54.42 -59.25 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -35.02 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 66' ' ' LEU . 4.9 mt -67.58 -45.31 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -63.49 -33.13 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.57 -41.17 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.2 mp -67.98 -41.0 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG2' HD12 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -83.9 7.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -29.62 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -158.82 45.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -43.17 156.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -84.82 158.8 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -5.67 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 15.9 ttpp -134.34 82.4 46.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.4 Cg_endo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 9.2 m-85 -152.5 62.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.8 t -75.13 -172.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -59.72 -32.72 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.39 -53.66 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 1.7 tm-20 -60.85 -67.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.1 -47.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -54.87 -43.77 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.4 m-80 -67.11 -34.58 77.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.48 -48.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.09 -27.25 61.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -21.04 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 1.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . 176.17 133.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' ALA . 5.1 mtp180 -33.0 -39.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -59.97 -60.07 4.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.591 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.75 -42.89 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.489 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -61.32 -39.34 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.81 -42.14 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -63.65 -43.25 97.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 2.2 m-85 -63.77 -35.4 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -42.4 68.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -70.93 -40.1 72.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 62' ' ' TYR . 30.5 mtm -68.4 -23.2 64.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 25' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -54.37 -34.53 61.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.89 -34.94 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 66.7 mt-10 -66.06 -40.55 90.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -59.48 -39.0 82.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.487 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 17.7 mtp -51.18 -60.73 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -64.32 -28.52 69.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -67.1 -42.86 83.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -66.07 -45.62 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 10.1 ttmm -65.36 -33.92 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 1.7 mt-10 -57.68 -38.91 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.627 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 5.2 mt -67.78 -38.1 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.72 -8.32 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 3.3 tt0 -71.48 -4.89 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -157.11 45.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.655 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.48 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -158.45 162.17 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -68.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -4.96 41.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -136.76 80.35 37.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.655 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.8 m-85 -153.43 56.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -75.21 -179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -47.57 -32.36 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 24.9 tp60 -65.21 -73.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.7 tt0 -40.81 -68.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -42.58 -49.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.04 -43.35 86.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.6 m120 -60.96 -39.33 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 29.1 mt -56.33 -38.87 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' C ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -53.09 -35.65 59.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -56.45 -18.21 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 2.0 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 166.35 138.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -34.29 -44.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -60.59 -55.85 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.55 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -61.64 -40.22 94.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 43' ' ' ILE . 3.0 t -64.53 -38.04 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.47 98.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.08 -43.11 99.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.482 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 5.2 m-85 -65.14 -40.49 94.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -41.41 52.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.07 -37.99 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.487 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 21.0 mtm -67.64 -37.96 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 25' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.39 -34.16 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.46 52.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.17 -37.9 87.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 9.1 mtp -57.31 -61.49 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.17 -28.11 67.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -43.63 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.21 -45.98 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -33.93 77.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -59.84 -37.02 78.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.626 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -67.17 -31.93 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -86.8 18.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.6 mm-40 -68.73 -28.03 66.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -142.94 55.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -61.67 -144.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 5.0 t70 -157.45 -143.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -155.91 46.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.32 -34.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -149.75 56.84 2.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.95 -174.83 2.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 35.0 m-85 -85.2 59.68 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.62 167.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -39.93 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.45 -44.09 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.605 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 12.9 tt0 -63.92 -70.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.13 -44.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.24 -44.7 84.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 22.9 m-80 -68.43 -37.82 80.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mt -52.44 -44.81 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -50.27 -34.16 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -25.86 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.52 HG11 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -176.19 151.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.5 mtp85 -33.73 -46.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -53.7 54.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.52 ' CG2' HG11 ' A' ' 54' ' ' VAL . 1.2 m -60.3 -43.17 96.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.5 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -63.86 -46.05 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.8 76.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -63.86 -45.02 91.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 25' ' ' ILE . 4.0 m-85 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -41.02 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.23 -39.35 78.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -68.14 -37.35 80.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 1.7 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -32.1 61.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.09 -37.44 63.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.57 -39.35 88.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -61.14 -39.57 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' CB ' ' A' ' 65' ' ' MET . 35.0 tpp -51.37 -61.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -61.87 -28.24 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.01 82.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.619 HD13 ' CD2' ' A' ' 62' ' ' TYR . 6.6 mt -68.23 -45.99 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' CA ' HD13 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.59 -33.37 75.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.81 -39.81 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 mt -67.72 -38.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.93 -0.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.15 -29.01 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -134.56 48.66 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.627 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.25 -156.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.35 157.34 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -63.18 -69.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -5.83 43.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 78.86 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -159.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.627 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 2.0 m-85 -153.32 53.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.5 169.4 17.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -42.95 -35.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 5.7 tp60 -60.51 -58.76 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.2 tp10 -59.42 -64.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.604 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.43 -49.11 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.48 -39.6 80.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.3 m-80 -68.93 -22.15 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 7.2 mt -65.79 -44.98 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -56.16 -36.78 68.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 21.1 mttm -56.71 -21.13 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.495 HG12 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 175.81 151.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 74.1 mtm180 -33.35 -47.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -61.41 -52.1 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.495 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.3 m -60.2 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' CG2' ' A' ' 43' ' ' ILE . 2.2 t -58.03 -46.45 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.68 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -42.56 97.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.619 ' CD2' HD13 ' A' ' 25' ' ' ILE . 7.9 m-85 -65.17 -40.62 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -47.37 -40.65 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.12 -40.06 82.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' HE3' ' A' ' 22' ' ' MET . 31.6 mtm -68.73 -33.08 73.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.505 HD13 ' CA ' ' A' ' 26' ' ' LYS . 1.3 pt? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.249 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -52.22 -34.35 45.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.7 -33.46 60.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -67.9 -39.37 83.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' OH ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.0 -40.91 90.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 65' ' ' MET . 28.4 tpp -54.97 -57.54 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.23 -29.11 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -66.76 -44.73 80.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 62' ' ' TYR . 8.3 mt -67.97 -45.1 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.506 ' CB ' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.35 -40.37 93.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -53.45 -36.81 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -67.5 -39.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.35 18.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.8 mm-40 -66.5 -27.86 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -150.68 53.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -157.58 150.77 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -77.24 -50.72 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -74.02 -3.8 31.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 70.3 1.09 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.478 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 15.6 m-30 -85.9 61.91 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.44 169.3 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -42.75 -33.17 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.2 tp60 -64.54 -46.88 80.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.9 tp10 -64.33 -69.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.53 -45.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.15 -44.4 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.2 m-80 -67.81 -36.14 79.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.435 ' CD1' HG22 ' A' ' 28' ' ' ILE . 13.3 mt -57.67 -44.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 ' CD2' ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -51.97 -34.71 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -56.27 -28.23 57.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.14 149.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 16.5 mtp-105 -39.9 -50.68 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -61.66 -37.68 84.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' A' ' 57' ' ' ARG . 2.1 m -71.85 -52.53 16.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.505 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.2 t -54.41 -37.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.39 82.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -44.78 90.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 25' ' ' ILE . 8.6 m-85 -67.24 -40.41 86.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -42.38 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.64 -32.94 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' TYR . 1.9 mpp? -67.59 -28.98 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 HD12 ' CB ' ' A' ' 26' ' ' LYS . 2.6 pt? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.88 63.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.7 -37.31 84.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -65.06 -39.65 93.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.561 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 2.8 mtp -51.51 -55.72 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -30.58 71.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.23 -43.51 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.577 HD13 ' CD2' ' A' ' 62' ' ' TYR . 8.0 mt -66.43 -45.03 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' CB ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.29 -40.81 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.18 -32.87 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.611 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.1 mt -67.65 -42.05 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.799 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -92.27 20.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.15 -29.17 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -141.58 57.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -60.97 -162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.67 160.92 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -30.56 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -76.53 -52.53 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -130.18 77.78 75.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.92 42.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.799 ' CD2' ' HA ' ' A' ' 29' ' ' VAL . 60.2 m-85 -85.98 48.93 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.4 m -66.23 168.88 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -46.78 -33.78 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -66.66 -34.77 78.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -80.1 -71.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.7 OUTLIER -38.73 -50.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.46 -45.89 87.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.7 m-80 -67.7 -23.09 65.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -65.21 -39.43 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -56.11 -36.46 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 1.2 tttp -56.86 -19.65 18.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.566 HG11 ' CG2' ' A' ' 58' ' ' THR . 1.4 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' O ' ' CG2' ' A' ' 59' ' ' VAL . . . -179.75 154.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -38.1 -45.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -57.67 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.566 ' CG2' HG11 ' A' ' 54' ' ' VAL . 1.3 m -60.25 -37.95 81.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.499 ' CG1' HG22 ' A' ' 43' ' ' ILE . 6.3 t -65.15 -39.65 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.86 98.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.03 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CD2' HD13 ' A' ' 25' ' ' ILE . 4.7 m-85 -68.47 -40.21 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -42.19 51.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.465 ' CB ' ' HE1' ' A' ' 22' ' ' MET . 2.0 mpp? -68.21 -22.45 64.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.496 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 5.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -61.57 -34.19 75.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.53 -40.9 37.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 13.6 mm-40 -63.55 -43.47 96.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.25 -43.3 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.641 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 46.0 mmm -56.5 -60.88 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -59.89 -26.29 65.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 3.1 tt -65.95 -45.08 83.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.603 HD13 ' CD2' ' A' ' 62' ' ' TYR . 4.9 mt -68.49 -45.08 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.56 -38.99 93.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -67.44 -30.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 43' ' ' ILE . 3.1 t -90.37 2.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.64 -28.26 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -137.59 51.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.625 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.18 -157.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.48 160.47 26.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -69.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -10.08 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.13 78.87 39.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 2.4 m-85 -152.93 58.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.5 t -74.67 -174.04 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -60.0 -35.6 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.1 tp60 -65.0 -51.17 63.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.1 tt0 -62.67 -68.77 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -41.83 -46.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.16 -43.63 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.51 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.8 m-80 -68.4 -35.69 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.525 HD12 ' CE1' ' A' ' 38' ' ' TYR . 4.2 mt -53.9 -44.71 61.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -49.85 -40.67 43.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.12 -26.24 60.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -179.48 155.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' ALA . 14.1 mmt85 -34.15 -45.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -54.72 41.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.484 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.2 m -60.06 -42.81 95.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.509 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -64.83 -46.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.96 72.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.09 -44.81 91.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.641 ' CD2' ' SD ' ' A' ' 22' ' ' MET . 3.9 m-85 -66.73 -40.28 88.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -43.43 -41.04 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.55 -37.0 76.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' TYR . 2.1 mpp? -67.57 -38.09 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 HD23 ' CG2' ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -60.24 -34.37 73.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.42 -35.87 55.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.63 -30.87 71.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -50.27 -40.67 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.469 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 22.4 ttm -52.96 -56.98 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -65.18 -33.14 75.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.92 -38.8 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.69 -44.13 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.69 -24.87 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 2.5 mt-10 -64.38 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -67.41 -31.55 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.52 18.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 4.3 mm-40 -69.99 -28.37 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -152.34 57.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.636 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -61.99 -161.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.71 154.47 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.37 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 1.2 ptm85 -82.57 -8.62 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -166.9 70.12 1.02 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.35 42.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 44.6 m-85 -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -74.69 168.41 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -46.14 -28.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.587 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 10.9 tp60 -66.22 -58.4 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 5.7 tt0 -57.77 -72.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.641 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -34.08 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -58.17 -57.45 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -70.5 -9.32 56.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.641 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 1.6 mt -81.74 -46.89 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.511 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.03 -32.84 66.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -38.14 69.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.14 149.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.88 -43.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.26 -57.22 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.53 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.29 -45.12 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.9 t -58.92 -42.9 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.78 -42.01 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -63.7 -44.07 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 25.6 m-85 -65.82 -38.86 90.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -41.41 93.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.35 -39.03 74.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.452 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.63 -38.36 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 6.8 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.86 -34.19 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -33.48 59.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -67.87 -41.56 82.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -58.43 -40.01 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.422 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 28.6 ttm -53.37 -57.21 11.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.28 -35.88 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 15.2 mt -66.21 -42.86 88.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.484 HG23 ' CD2' ' A' ' 66' ' ' LEU . 2.8 mt -66.82 -46.23 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 tttt -62.86 -25.98 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.62 -40.39 91.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 mp -67.91 -41.59 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -79.82 -10.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.5 tt0 -43.37 -30.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 1.7 m120 -158.99 60.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -60.57 156.98 15.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 4.5 t0 -85.05 161.42 19.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -71.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -8.41 56.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.354 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 8.2 mttt -131.79 83.75 56.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.2 Cg_endo -75.07 -156.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-85 -152.29 59.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -75.19 169.65 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 15.5 p-10 -44.31 -33.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.09 -54.35 31.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -61.1 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -42.65 -47.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -56.82 -42.58 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.9 m-80 -65.96 -38.28 88.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' OE1' ' A' ' 42' ' ' GLU . 38.2 mt -61.42 -51.16 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.36 -30.39 64.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -56.61 -18.64 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.596 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 1.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -178.53 135.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -32.79 -39.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -60.11 -60.39 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.596 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.22 -41.66 93.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.489 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -63.16 -40.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.11 -42.05 76.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -63.88 -43.16 96.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 11.1 m-85 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -42.06 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -70.4 -38.71 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.7 mtm -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' CD2' HG23 ' A' ' 25' ' ' ILE . 8.5 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' GLY . 22.0 pt20 -61.54 -34.34 75.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.09 -38.9 59.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.408 ' HB2' ' OG1' ' A' ' 17' ' ' THR . 2.3 mm-40 -67.65 -28.46 67.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -39.76 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.521 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 8.6 mtp -52.74 -62.88 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -61.64 -27.19 68.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD2' ' C ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.03 -43.0 83.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.58 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -61.25 -44.2 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -38.33 75.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.7 -38.95 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -80.48 3.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -28.35 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.8 55.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.19 172.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 1.7 t0 -84.6 165.41 18.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -65.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 1.9 ttp-105 -85.84 17.99 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 12.1 mttt -163.86 75.41 1.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.0 159.01 41.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 12.1 m-85 -85.93 62.25 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 m -75.24 169.99 16.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 4.1 p-10 -38.25 -34.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 20.2 tp60 -64.98 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -43.75 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.543 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -42.93 -48.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.15 -39.04 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.2 m120 -67.79 -25.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 22.5 mt -64.6 -42.72 95.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -56.81 -36.41 69.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -56.61 -25.45 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 58' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.77 142.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -33.14 -47.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -53.25 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.1 m -60.26 -47.21 86.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.2 t -58.82 -43.68 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.84 71.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -44.48 95.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.58 ' CD2' HD13 ' A' ' 25' ' ' ILE . 3.8 m-85 -66.43 -40.5 89.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -41.25 73.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -39.19 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.422 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 16.9 mtm -67.93 -36.42 80.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -55.91 -32.59 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.5 58.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -39.91 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.06 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.42 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 32.5 mtp -52.9 -56.01 19.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.35 -30.65 69.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mt -66.68 -45.81 77.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.595 HD13 ' CD2' ' A' ' 62' ' ' TYR . 15.4 mt -68.88 -46.67 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.509 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.53 -30.21 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 12.6 mt-10 -67.08 -33.95 76.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.425 HG12 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.76 -42.7 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.705 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -91.18 12.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 8.3 pt-20 -56.43 -28.17 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' GLU . 13.5 p-10 -146.56 57.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -55.58 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -159.36 169.27 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 2.23 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -149.27 75.41 9.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -159.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.76 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.705 ' CD2' ' HA ' ' A' ' 29' ' ' VAL . 7.2 m-85 -153.3 47.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.88 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 3.6 p-10 -45.65 -33.61 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 3.1 tp60 -64.12 -56.55 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.1 tp10 -60.5 -67.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG21 ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -40.99 -48.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.05 -44.67 87.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.3 m-80 -62.31 -34.15 76.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.425 HD11 HG12 ' A' ' 28' ' ' ILE . 17.2 mt -63.93 -51.02 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.498 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.68 -33.2 68.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -18.58 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.492 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -169.15 146.39 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ALA . 24.7 mtm180 -31.56 -44.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -56.53 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.559 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.1 m -60.27 -44.67 95.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.475 ' CG1' HG21 ' A' ' 43' ' ' ILE . 2.5 t -61.35 -43.25 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.35 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -62.45 -45.43 93.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.595 ' CD2' HD13 ' A' ' 25' ' ' ILE . 2.6 m-85 -67.3 -42.05 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -41.76 -40.65 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -67.95 -40.69 83.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' TYR . 23.4 mtm -70.2 -38.25 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -57.44 -34.37 68.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -41.32 48.77 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -58.23 -31.01 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -48.04 -41.35 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 ttm -49.39 -57.44 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.69 -30.63 70.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' N ' ' HG3' ' A' ' 23' ' ' LYS . 2.2 tt -67.66 -39.93 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 7.7 mt -67.88 -45.17 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CB ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.99 -38.02 89.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -58.79 -37.52 76.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.635 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.76 -39.05 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -78.85 4.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -153.17 61.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.667 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.28 -158.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.529 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 2.1 t0 -158.01 151.22 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -77.3 -45.52 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -7.08 53.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -166.79 69.29 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.07 157.98 42.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 40.1 m-85 -85.75 64.87 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 9.6 t -70.15 -176.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -59.95 -38.64 83.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.528 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -66.15 -46.7 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.8 tt0 -64.39 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CG2' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -41.19 -46.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.73 -45.6 85.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.514 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 6.6 m-80 -69.23 -26.52 64.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.519 HD13 ' CE1' ' A' ' 38' ' ' TYR . 1.3 mt -63.26 -43.39 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -48.2 -37.54 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.41 -32.14 66.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 32.6 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.02 147.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.13 -47.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -54.26 46.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.8 m -60.06 -44.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.498 HG12 ' CG2' ' A' ' 43' ' ' ILE . 3.1 t -59.27 -43.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.07 92.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -42.7 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 1.2 m-85 -63.42 -41.57 98.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -42.14 33.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -39.92 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.6 mtm -68.21 -38.71 82.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 ' CB ' ' A' ' 26' ' ' LYS . 3.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 3' ' ' SER . 27.3 p90 -179.02 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -62.26 146.07 51.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.07 160.62 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 5' ' ' ARG . 10.6 mtp-105 56.89 170.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -82.39 -173.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -127.86 105.92 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -175.16 79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -145.55 61.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -77.05 -63.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.73 96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m 59.28 155.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.53 160.71 29.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.38 49.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . . . 51.85 19.48 5.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -40.73 160.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -87.16 156.59 19.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.06 -32.18 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.22 62.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.17 -38.85 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.556 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 3.7 mtp -52.9 -61.8 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -28.17 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -66.48 -44.28 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 19.3 mt -66.52 -44.87 90.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -39.87 94.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -37.1 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.634 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -67.68 -26.27 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.73 10.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 2.4 tm-20 -70.67 -28.65 64.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.458 ' ND2' ' OE1' ' A' ' 30' ' ' GLU . 6.7 m-80 -139.65 49.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.2 -151.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -157.51 154.39 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -48.34 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -86.34 5.91 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.1 63.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 156.5 43.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.648 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 30.2 m-85 -86.31 58.82 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -65.86 168.73 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 p-10 -44.42 -35.77 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.3 tp60 -65.02 -48.47 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' ASN . 2.5 tp10 -61.35 -70.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -42.52 -46.33 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.87 -42.54 84.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.508 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.9 m-80 -65.15 -38.74 91.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 6.1 mt -50.99 -43.82 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -36.02 48.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.05 -17.03 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -64.23 -0.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 69.52 45.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.38 -89.33 1.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CZ ' HD22 ' A' ' 24' ' ' LEU . 40.8 m-85 -86.2 172.68 10.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 82.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -110.18 -150.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.23 142.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' ALA . 6.9 mmm-85 -33.19 -45.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -55.71 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.508 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.0 OUTLIER -60.35 -42.89 96.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.8 t -62.76 -43.13 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.23 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -45.21 92.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.599 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 5.8 m-85 -67.5 -41.64 84.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -47.25 -41.4 18.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -37.97 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.9 mtm -67.55 -18.9 65.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -151.56 -67.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' TYR . 18.2 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.401 ' CB ' ' O ' ' A' ' 1' ' ' THR . 0.4 OUTLIER 67.98 135.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -106.05 173.86 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -165.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 134.64 17.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.2 m -90.02 166.33 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -113.78 -179.53 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -103.87 164.5 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.503 ' CG2' ' N ' ' A' ' 10' ' ' ARG . 1.6 p -90.81 -103.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.503 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -177.49 -58.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.92 172.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.2 150.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB1' ' CE1' ' A' ' 52' ' ' PHE . . . -99.44 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.84 71.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 16' ' ' LEU . . . 77.96 22.13 69.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.556 HD13 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -44.79 168.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -86.9 158.03 19.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -34.02 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -37.46 58.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.474 ' C ' HD11 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -66.91 -35.51 80.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -38.86 -40.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.515 ' HA ' ' CE2' ' A' ' 62' ' ' TYR . 5.2 mtp -53.82 -54.27 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.23 -26.38 66.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.556 ' CD1' HD13 ' A' ' 16' ' ' LEU . 2.8 tt -66.44 -43.31 85.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 28.5 mt -68.06 -44.05 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -33.92 76.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.055 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -39.88 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -68.07 -39.2 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG2' ' CD1' ' A' ' 43' ' ' ILE . 0.8 OUTLIER -81.1 -2.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -11.73 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -158.69 52.29 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -62.12 -156.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.7 162.12 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -68.45 -67.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -74.55 -4.24 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 79.06 25.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' OE1' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.624 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 2.3 m-85 -153.29 51.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.74 169.52 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 5.6 p-10 -46.21 -33.29 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.6 tp60 -64.76 -56.25 14.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -62.5 -64.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -41.92 -47.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.59 -44.18 85.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 7.9 m-80 -68.55 -24.54 64.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 HD12 ' CE1' ' A' ' 38' ' ' TYR . 7.4 mt -72.31 -48.44 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.492 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.17 -29.19 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 50' ' ' LYS . 11.2 mttt -56.76 -35.1 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.33 -27.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -129.38 -37.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 104.58 -19.2 42.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 51' ' ' GLY . 44.0 m-85 19.48 -114.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.81 44.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.531 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -108.8 -160.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 161.03 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -32.32 -46.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -61.12 -53.15 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 m -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -56.58 -45.82 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.3 64.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -64.12 -43.57 94.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.606 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.1 m-85 -66.11 -40.43 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -41.8 56.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.26 -39.24 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.3 mtm -67.52 -36.79 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.492 ' CD2' HG23 ' A' ' 25' ' ' ILE . 1.6 mp -81.98 -73.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 179.29 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -168.76 171.4 8.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -148.18 139.39 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.41 159.63 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.0 p -92.72 -171.92 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -143.12 174.35 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 6.3 t80 178.71 159.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.526 ' O ' ' CZ ' ' A' ' 8' ' ' PHE . 91.8 t -144.81 -107.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.442 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 4.1 mtm180 -177.54 -71.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.3 164.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -54.38 -175.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 52' ' ' PHE . . . -41.49 161.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.89 174.85 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -81.46 3.45 78.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' CD2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -40.16 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p -86.59 160.79 18.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -54.87 -32.43 60.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.25 -36.66 63.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.82 -39.02 87.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -60.01 -39.44 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 13.6 mtp -53.48 -58.28 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -28.19 67.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD23 ' CZ ' ' A' ' 52' ' ' PHE . 2.7 mt -66.32 -42.3 88.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.6 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -65.26 -45.16 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -30.58 71.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -38.78 83.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -65.56 -37.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.91 -2.2 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.31 -28.97 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.14 51.69 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.634 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.34 -157.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -157.84 145.68 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -76.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -7.31 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 33' ' ' ASP . 7.4 mttt -131.92 79.93 66.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -160.44 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.634 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.4 m-85 -153.41 53.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -75.31 177.9 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -46.44 -32.89 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.554 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 28.7 tp60 -65.24 -73.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -41.29 -66.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 0.8 OUTLIER -43.78 -49.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.35 -43.18 88.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.3 m120 -62.72 -38.86 92.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 48.9 mt -51.0 -44.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -51.35 -35.85 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 50' ' ' LYS . 46.0 tttt -56.9 -18.36 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 3.2 mm-40 -64.38 -0.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 48' ' ' LYS . 4.3 tttt 69.11 45.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.14 -90.58 1.79 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.469 ' CZ ' HD23 ' A' ' 24' ' ' LEU . 29.0 m-85 -84.7 162.63 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -97.9 80.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG11 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -116.56 -167.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . 174.15 148.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 28.4 mtp180 -32.29 -47.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -54.65 42.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.523 ' CG2' HG11 ' A' ' 54' ' ' VAL . 1.2 m -60.33 -43.22 96.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -62.54 -40.88 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.42 91.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.6 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.2 m-85 -67.06 -40.36 87.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -41.51 70.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -38.89 77.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.1 mtm -67.73 -37.6 82.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -83.07 -71.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -98.16 -56.25 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 175.01 173.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.971 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.04 163.49 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -176.13 170.76 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.3 m -151.07 153.06 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -85.96 145.93 26.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -178.08 -177.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 t 59.61 91.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -154.27 -65.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 12' ' ' SER . 5.5 mm-40 41.87 -151.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER 80.11 -170.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -124.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.39 48.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.44 4.18 43.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.9 OUTLIER -80.84 154.17 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.739 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -87.15 156.38 19.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.08 -33.21 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.35 52.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -40.57 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD21 ' CG ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.04 -40.53 85.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.497 ' HE1' ' CD2' ' A' ' 66' ' ' LEU . 20.3 mtp -54.78 -59.58 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -28.93 68.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mt -67.06 -44.09 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.58 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 17.4 mt -66.57 -46.68 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' CG ' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.94 -22.89 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 5.5 mt-10 -67.06 -39.78 86.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.2 mp -68.02 -25.95 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -91.72 20.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 45.2 mt-10 -68.64 -29.34 67.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -147.42 54.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.619 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -62.06 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 4.5 t70 -159.63 146.86 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -67.7 -41.13 84.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -67.0 -51.75 51.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.98 75.65 78.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -74.99 158.34 42.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.619 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.7 m-85 -85.78 62.32 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -67.71 -175.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 4.0 p30 -57.32 -34.75 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.515 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.31 -48.82 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.7 tt0 -61.7 -70.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.491 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.71 -46.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.21 -43.72 83.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -65.9 -31.77 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.416 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 16.3 mt -66.1 -50.47 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.34 -34.53 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.669 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -57.19 -15.25 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 53.6 mt-10 -64.43 16.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.669 ' H ' ' C ' ' A' ' 48' ' ' LYS . 2.2 tttp 68.9 49.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.91 -96.6 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD1' HD21 ' A' ' 16' ' ' LEU . 19.3 m-85 -87.07 160.88 18.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.72 93.48 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG12 ' CG2' ' A' ' 58' ' ' THR . 0.4 OUTLIER -122.66 -149.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 163.85 140.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.8 mmm180 -32.12 -46.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -54.56 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.544 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.1 m -60.13 -46.12 90.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.491 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.5 t -59.8 -46.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.61 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -63.28 -43.21 98.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.58 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.2 m-85 -64.56 -42.59 95.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.5 ttt180 -51.96 -42.11 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.94 -36.86 72.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.412 ' SD ' ' HE2' ' A' ' 22' ' ' MET . 10.5 mtm -67.95 -24.81 65.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.497 ' CD2' ' HE1' ' A' ' 22' ' ' MET . 1.0 OUTLIER -151.74 -60.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 2' ' ' TYR . 6.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.8 OUTLIER -178.39 146.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER 162.25 105.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -170.94 -164.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 62.85 -173.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.3 m 62.68 86.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -174.53 106.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -179.06 175.2 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.2 t -144.8 -103.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.89 -84.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -176.32 136.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -179.09 -179.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -147.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.5 47.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.75 5.56 46.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' CD1' ' O ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -62.67 149.33 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 8.5 p -90.4 155.34 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -34.32 40.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.62 49.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 mm-40 -59.17 -41.09 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -51.53 -41.32 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.513 ' SD ' ' CD2' ' A' ' 66' ' ' LEU . 39.2 tpp -55.65 -60.28 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -31.75 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 tt -66.88 -43.97 82.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.649 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.81 -44.98 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 2.3 tttt -65.64 -34.29 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.85 -39.85 65.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.581 HG22 ' CD2' ' A' ' 38' ' ' TYR . 2.1 mt -67.92 -40.38 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.12 -2.4 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' LYS . 1.6 tm-20 -48.32 -29.82 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 2.0 p30 -158.8 44.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -40.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -84.56 157.59 21.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -71.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -5.9 47.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 10.6 mtpp -133.12 81.41 56.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.3 Cg_endo -75.0 -158.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 11.7 m-85 -152.59 61.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -171.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 5.7 p-10 -58.7 -34.84 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -64.23 -50.03 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 2.3 tp10 -63.03 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.508 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -43.83 -46.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.478 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.31 -43.43 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.511 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 3.6 m-80 -67.81 -28.65 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 4.2 mt -66.15 -37.81 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -55.84 -35.83 66.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 50' ' ' LYS . 4.5 mtmt -56.62 -25.71 53.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 3.5 mm-40 -42.33 -27.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -166.96 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 156.8 -66.07 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.506 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 2.2 m-30 58.51 12.68 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.06 62.41 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -129.83 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 159.04 148.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 42.9 mtp180 -33.33 -46.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -53.94 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.549 HG23 ' CE2' ' A' ' 62' ' ' TYR . 1.3 m -60.08 -45.44 92.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -59.77 -45.71 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.17 65.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.14 -43.56 94.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.649 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 7.9 m-85 -65.23 -41.28 94.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.14 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.61 -34.62 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.513 ' CD2' ' SD ' ' A' ' 22' ' ' MET . 1.7 mt -83.34 -64.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' CG ' ' N ' ' A' ' 3' ' ' SER . 7.9 p90 -176.11 -41.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 7.4 p -92.25 57.32 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -73.35 -160.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.63 98.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 m 61.82 82.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -110.29 37.48 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.69 163.77 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 p -146.17 53.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 41.06 69.7 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.58 142.57 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.11 -153.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' HB1' ' N ' ' A' ' 52' ' ' PHE . . . -61.82 -143.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 50.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.78 24.64 0.75 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD23 ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -54.55 152.49 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -87.76 156.5 19.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -34.61 60.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.82 59.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -67.15 -40.41 86.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' CD2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -57.46 -40.64 78.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.481 ' HE1' ' CB ' ' A' ' 65' ' ' MET . 41.4 tpp -54.79 -65.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 mttt -60.51 -28.28 68.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 11.4 mt -66.12 -44.33 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.522 HD13 ' CG ' ' A' ' 62' ' ' TYR . 6.0 mt -65.56 -43.17 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' CA ' HD12 ' A' ' 66' ' ' LEU . 1.3 ttpm? -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.493 ' HG3' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -53.56 -37.44 62.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.639 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 6.8 mt -67.78 -31.59 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -90.87 17.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.77 -28.77 66.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -148.88 56.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.657 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.08 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -157.92 150.36 22.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.29 -31.4 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.41 -6.56 54.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.88 69.29 1.01 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.01 42.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.657 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.2 m-85 -85.67 64.5 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 m -71.04 168.32 17.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -42.02 -34.78 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.517 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.6 tp60 -64.94 -47.35 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.601 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.5 tt0 -62.21 -70.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.488 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.41 -46.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.494 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.41 -43.74 84.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.517 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -64.12 -39.11 93.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 13.9 mt -55.19 -36.17 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.62 -29.92 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 50' ' ' LYS . 10.5 ttpp -56.49 -26.15 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -64.35 3.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.93 50.18 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.578 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -141.9 24.85 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 66.9 m-85 -164.71 -58.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.48 70.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.577 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 2.0 t -110.58 -139.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . 170.96 138.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 ptm180 -33.43 -44.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.63 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.577 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -61.25 -40.22 93.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.488 HG11 ' CG2' ' A' ' 43' ' ' ILE . 3.5 t -63.47 -40.7 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.71 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -63.96 -42.94 97.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' CG ' HD13 ' A' ' 25' ' ' ILE . 13.1 m-85 -62.61 -39.39 93.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -49.9 -41.88 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.24 -39.03 75.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.481 ' CB ' ' HE1' ' A' ' 22' ' ' MET . 28.8 mtm -67.64 -37.29 82.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 4.3 mm? -62.3 -64.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.49 175.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -168.11 126.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.17 170.65 22.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.7 144.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.9 m -154.45 145.28 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.439 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -155.48 170.17 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 3.9 p90 -37.56 140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 9' ' ' VAL . 9.5 p -159.05 83.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 67.58 93.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.8 110.33 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.79 -171.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.579 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . . . -41.59 157.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' LEU . 2.7 tt0 -66.75 -140.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' A' ' 17' ' ' THR . . . -41.28 -22.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.608 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER 32.76 31.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.1 p -66.69 154.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.3 mp0 -41.87 -34.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -76.95 -38.94 29.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.097 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 17' ' ' THR . 2.0 mm-40 -67.38 -44.4 79.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.505 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.96 -39.59 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 4.2 mtp -52.26 -60.26 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -27.73 64.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.608 ' CD1' ' CD2' ' A' ' 16' ' ' LEU . 1.3 mt -66.0 -44.88 83.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.602 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 11.2 mt -68.0 -45.05 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -39.97 95.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.33 -36.54 71.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.606 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -67.77 -29.73 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -89.81 15.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.17 -28.93 65.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -146.27 54.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.652 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.1 -157.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 10.4 t0 -160.64 150.87 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -40.35 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -78.97 -8.73 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 68.88 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.0 158.89 41.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.652 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 45.5 m-85 -85.91 58.72 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 168.37 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -48.5 -35.1 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.505 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.3 tp60 -66.56 -50.3 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.6 tt0 -64.64 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -41.21 -44.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.553 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.11 -45.32 83.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.505 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 10.3 m-80 -67.77 -23.59 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.3 -34.31 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -56.32 -38.22 70.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -41.87 80.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -35.04 79.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -81.83 -56.51 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.44 3.19 30.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 16.4 m-30 -56.56 -168.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -112.48 67.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.549 ' HB ' ' CD2' ' A' ' 47' ' ' LEU . 1.1 t -113.64 -176.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 173.53 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -38.05 -47.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -46.0 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.523 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.6 m -67.85 -43.76 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -64.12 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.58 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -44.77 92.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 4.4 m-85 -66.87 -41.81 86.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . 4.4 tpt85 -47.05 -40.8 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -38.34 73.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.405 ' SD ' ' SD ' ' A' ' 22' ' ' MET . 23.7 mtm -67.87 -18.64 64.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -151.71 -67.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -161.87 174.9 12.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 81.3 p -126.33 -173.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 169.38 -170.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER 83.31 161.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -151.75 140.78 21.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 3.1 t80 -67.66 175.1 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 7' ' ' PHE . 49.7 m-85 -159.18 -175.7 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 10' ' ' ARG . 2.0 p -144.63 -104.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.527 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -169.58 -73.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.27 94.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' ALA . 74.8 p -92.64 -171.56 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' SER . . . -56.17 -107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.34 29.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.27 0.82 55.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.591 ' CD2' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -62.66 153.13 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -87.53 155.41 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -33.08 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.61 -41.66 50.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.11 -40.4 76.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -40.55 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.6 mtp -56.57 -60.62 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -60.28 -26.58 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.3 -43.82 85.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.631 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 6.0 mt -67.55 -44.74 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -63.38 -31.04 72.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -39.27 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.696 ' CG2' ' CD1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.74 -42.33 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.88 3.23 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.19 -22.01 63.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -156.92 58.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 1.7 pt-20 -62.14 -158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.23 164.22 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.78 -67.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -3.54 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.16 78.31 15.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -160.59 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 2.4 m-85 -153.22 53.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 168.78 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.487 ' O ' ' HB1' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -48.49 -27.73 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.597 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 12.9 tp60 -67.98 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.62 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 tt0 -55.46 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.539 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.2 OUTLIER -34.41 -37.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HB1' ' O ' ' A' ' 40' ' ' ASP . . . -57.9 -53.89 53.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.62 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -68.67 -12.46 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.539 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 5.9 mt -81.56 -47.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.79 -35.57 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -38.58 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.22 -25.04 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -88.04 -48.72 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.6 -2.67 13.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.591 ' CE1' ' CD2' ' A' ' 16' ' ' LEU . 20.0 m-85 -56.75 159.52 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 81.93 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -125.97 -158.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 159.28 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -32.4 -44.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -55.32 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.52 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.1 m -60.4 -48.06 83.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.497 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.5 t -57.11 -43.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.09 59.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.631 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 6.4 m-85 -65.54 -40.31 92.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -41.02 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.76 79.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -67.76 -37.55 82.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 1.1 mm? -82.86 -64.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -175.8 -178.94 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.32 177.98 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.22 116.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -173.86 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -148.82 -173.77 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.34 -176.94 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.99 -171.46 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.509 ' CG2' ' N ' ' A' ' 10' ' ' ARG . 2.1 p -144.6 -105.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 1.7 ttt180 76.28 91.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -156.68 158.78 37.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -165.25 -164.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.76 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 13' ' ' ALA . 2.9 tt0 32.27 71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.49 -7.17 5.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.44 153.61 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -87.36 157.52 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -34.1 57.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.89 -35.24 58.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.08 -40.14 86.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.23 -40.97 87.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.43 ' HE1' ' CB ' ' A' ' 65' ' ' MET . 27.7 ttm -54.42 -59.25 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -35.02 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 66' ' ' LEU . 4.9 mt -67.58 -45.31 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -63.49 -33.13 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.57 -41.17 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.2 mp -67.98 -41.0 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG2' HD12 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -83.9 7.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -29.62 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -158.82 45.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -43.17 156.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -84.82 158.8 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -5.67 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 15.9 ttpp -134.34 82.4 46.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.4 Cg_endo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 9.2 m-85 -152.5 62.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.8 t -75.13 -172.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.528 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -59.72 -32.72 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.39 -53.66 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 1.7 tm-20 -60.85 -67.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.1 -47.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -54.87 -43.77 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.4 m-80 -67.11 -34.58 77.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.48 -48.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.59 HD11 ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.09 -27.25 61.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -56.68 -21.04 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 1.8 mt-10 -64.19 0.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 70.41 47.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.62 ' C ' ' CD1' ' A' ' 52' ' ' PHE . . . -121.5 1.22 11.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 23.2 m-85 -161.2 -53.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 84.51 86.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.591 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 1.7 t -124.78 -141.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . 176.17 133.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' ALA . 5.1 mtp180 -33.0 -39.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -59.97 -60.07 4.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.591 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.75 -42.89 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.489 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -61.32 -39.34 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.81 -42.14 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -63.65 -43.25 97.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' CD1' ' HE3' ' A' ' 65' ' ' MET . 2.2 m-85 -63.77 -35.4 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -53.71 -42.4 68.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -70.93 -40.1 72.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 62' ' ' TYR . 30.5 mtm -68.4 -23.2 64.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -151.71 65.83 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -101.56 176.06 5.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 80.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pp -165.79 69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -162.85 52.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.4 m -89.68 150.18 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 34.0 p90 -121.04 110.67 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -176.49 140.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.2 t -144.78 56.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -179.1 82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.14 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t 62.25 161.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 51' ' ' GLY . . . -155.8 -100.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 13' ' ' ALA . 2.2 tt0 31.42 63.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 145.67 -15.58 1.8 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.499 HD22 ' CD2' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -43.12 153.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -87.68 156.51 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -54.37 -34.53 61.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.89 -34.94 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 66.7 mt-10 -66.06 -40.55 90.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.499 ' CD2' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.48 -39.0 82.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.487 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 17.7 mtp -51.18 -60.73 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -64.32 -28.52 69.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -67.1 -42.86 83.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -66.07 -45.62 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 10.1 ttmm -65.36 -33.92 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 1.7 mt-10 -57.68 -38.91 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.627 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 5.2 mt -67.78 -38.1 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.72 -8.32 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 3.3 tt0 -71.48 -4.89 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -157.11 45.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.655 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.48 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -158.45 162.17 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -68.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -4.96 41.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -136.76 80.35 37.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.655 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 1.8 m-85 -153.43 56.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -75.21 -179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -47.57 -32.36 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 24.9 tp60 -65.21 -73.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.7 tt0 -40.81 -68.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.6 OUTLIER -42.58 -49.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.04 -43.35 86.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.6 m120 -60.96 -39.33 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 29.1 mt -56.33 -38.87 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD22 ' C ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -53.09 -35.65 59.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 50' ' ' LYS . 5.1 ttpt -56.45 -18.21 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.06 -7.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 69.51 46.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' C ' ' CD1' ' A' ' 52' ' ' PHE . . . -151.6 30.22 0.94 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 51' ' ' GLY . 65.3 m-85 -157.85 -71.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 84.57 54.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 2.0 t -96.01 -138.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 166.35 138.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -34.29 -44.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -60.59 -55.85 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.55 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -61.64 -40.22 94.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.483 HG13 ' CG2' ' A' ' 43' ' ' ILE . 3.0 t -64.53 -38.04 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.47 98.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.08 -43.11 99.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.482 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 5.2 m-85 -65.14 -40.49 94.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -41.41 52.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.07 -37.99 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.487 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 21.0 mtm -67.64 -37.96 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 25' ' ' ILE . 0.5 OUTLIER -83.25 -64.1 1.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.53 104.3 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -126.37 164.5 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.4 146.51 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -159.37 98.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.4 m 62.66 94.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 24.2 p90 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 8' ' ' PHE . 38.6 p90 -57.05 118.29 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 91.4 t -144.72 -107.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.3 OUTLIER -172.77 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 39.18 -98.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ARG . 3.0 m -100.58 147.96 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 51' ' ' GLY . . . 41.2 -126.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.3 29.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . 76.92 7.99 86.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -38.23 152.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 p -88.28 157.02 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.39 -34.16 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.46 52.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.17 -37.9 87.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 9.1 mtp -57.31 -61.49 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.17 -28.11 67.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.39 -43.63 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.21 -45.98 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -33.93 77.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -59.84 -37.02 78.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.626 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -67.17 -31.93 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -86.8 18.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.6 mm-40 -68.73 -28.03 66.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -142.94 55.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -61.67 -144.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 5.0 t70 -157.45 -143.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -155.91 46.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.32 -34.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -149.75 56.84 2.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.95 -174.83 2.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.626 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 35.0 m-85 -85.2 59.68 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.62 167.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.25 -39.93 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.605 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.45 -44.09 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.605 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 12.9 tt0 -63.92 -70.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.13 -44.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.24 -44.7 84.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 22.9 m-80 -68.43 -37.82 80.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mt -52.44 -44.81 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -50.27 -34.16 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.29 -25.86 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -40.84 -29.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -167.01 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 117.51 89.52 1.39 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -86.73 -0.73 56.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 tptm 84.05 51.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.52 HG11 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -127.4 -179.64 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -176.19 151.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.5 mtp85 -33.73 -46.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -53.7 54.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.52 ' CG2' HG11 ' A' ' 54' ' ' VAL . 1.2 m -60.3 -43.17 96.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.5 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -63.86 -46.05 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.8 76.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -63.86 -45.02 91.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 25' ' ' ILE . 4.0 m-85 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -41.02 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.23 -39.35 78.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -68.14 -37.35 80.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 62' ' ' TYR . 1.7 mm? -83.04 -60.42 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -174.88 161.6 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -172.42 163.08 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.84 170.89 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -179.92 168.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.4 m -156.14 166.08 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -155.89 127.99 7.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 179.09 155.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 89.8 t -144.69 -106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 175.99 95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.3 151.36 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.97 160.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.39 179.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -80.18 49.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 46.35 22.8 1.06 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.86 159.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p -86.66 157.03 19.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -32.1 61.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.09 -37.44 63.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.57 -39.35 88.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -61.14 -39.57 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.474 ' HE3' ' CB ' ' A' ' 65' ' ' MET . 35.0 tpp -51.37 -61.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -61.87 -28.24 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.01 82.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.619 HD13 ' CD2' ' A' ' 62' ' ' TYR . 6.6 mt -68.23 -45.99 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' CA ' HD13 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.59 -33.37 75.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.81 -39.81 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 mt -67.72 -38.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -82.93 -0.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.15 -29.01 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -134.56 48.66 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.627 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.25 -156.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.35 157.34 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -63.18 -69.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -5.83 43.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 78.86 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -159.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.627 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 2.0 m-85 -153.32 53.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.5 169.4 17.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -42.95 -35.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 5.7 tp60 -60.51 -58.76 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.2 tp10 -59.42 -64.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.604 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 0.5 OUTLIER -43.43 -49.11 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.48 -39.6 80.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.3 m-80 -68.93 -22.15 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.604 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 7.2 mt -65.79 -44.98 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.547 ' CD1' ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -56.16 -36.78 68.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 50' ' ' LYS . 21.1 mttm -56.71 -21.13 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 3.2 mm-40 -64.49 -1.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER 69.35 39.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.65 -18.89 6.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 75.0 m-85 -164.68 168.34 18.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 0.772 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.547 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 9.4 ttpp -76.61 -105.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' CG2' ' C ' ' A' ' 53' ' ' LYS . 0.2 OUTLIER 62.55 -175.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 58' ' ' THR . . . 175.81 151.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 74.1 mtm180 -33.35 -47.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -61.41 -52.1 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.495 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.3 m -60.2 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG12 ' CG2' ' A' ' 43' ' ' ILE . 2.2 t -58.03 -46.45 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.68 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -42.56 97.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.619 ' CD2' HD13 ' A' ' 25' ' ' ILE . 7.9 m-85 -65.17 -40.62 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -47.37 -40.65 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.12 -40.06 82.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.474 ' CB ' ' HE3' ' A' ' 22' ' ' MET . 31.6 mtm -68.73 -33.08 73.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.505 HD13 ' CA ' ' A' ' 26' ' ' LYS . 1.3 pt? -151.81 97.94 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.74 153.28 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.07 174.81 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 179.53 8.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 5' ' ' ARG . 16.8 ttp-105 -167.21 145.3 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m -154.2 130.11 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 177.97 112.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -175.56 149.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 86.1 t -144.73 -106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.5 OUTLIER -168.38 -87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 61.61 -169.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 p -62.88 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.954 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 51' ' ' GLY . . . -47.76 170.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.4 pt-20 -62.77 169.91 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.43 59.69 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -80.44 151.73 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -87.49 156.46 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -52.22 -34.35 45.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.7 -33.46 60.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -67.9 -39.37 83.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.0 -40.91 90.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.433 ' CE ' ' HB3' ' A' ' 65' ' ' MET . 28.4 tpp -54.97 -57.54 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.23 -29.11 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 ' CE1' ' A' ' 52' ' ' PHE . 6.2 mt -66.76 -44.73 80.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 62' ' ' TYR . 8.3 mt -67.97 -45.1 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' CB ' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.35 -40.37 93.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -53.45 -36.81 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -67.5 -39.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 t -79.35 18.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.8 mm-40 -66.5 -27.86 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -150.68 53.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -157.58 150.77 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -77.24 -50.72 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -74.02 -3.8 31.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 70.3 1.09 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.478 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 15.6 m-30 -85.9 61.91 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.44 169.3 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -42.75 -33.17 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.2 tp60 -64.54 -46.88 80.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.9 tp10 -64.33 -69.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.505 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.53 -45.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.15 -44.4 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.2 m-80 -67.81 -36.14 79.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.435 ' CD1' HG22 ' A' ' 28' ' ' ILE . 13.3 mt -57.67 -44.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -51.97 -34.71 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' LYS . 16.4 tttm -56.27 -28.23 57.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -39.86 -31.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -167.04 -38.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 126.7 88.78 0.68 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CE1' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -87.0 30.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt 51.25 48.28 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.548 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.7 OUTLIER -122.77 -156.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.14 149.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 16.5 mtp-105 -39.9 -50.68 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -61.66 -37.68 84.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.484 ' N ' ' HG2' ' A' ' 57' ' ' ARG . 2.1 m -71.85 -52.53 16.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.505 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.2 t -54.41 -37.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.39 82.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -44.78 90.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 25' ' ' ILE . 8.6 m-85 -67.24 -40.41 86.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -43.01 -42.38 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.64 -32.94 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' TYR . 1.9 mpp? -67.59 -28.98 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD12 ' CB ' ' A' ' 26' ' ' LYS . 2.6 pt? -151.43 -53.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.574 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 94.3 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 1' ' ' THR . 10.6 m-85 -170.08 154.04 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.25 177.16 8.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.46 179.21 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -167.32 -177.75 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 p -146.95 -177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -152.07 112.51 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 178.36 152.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 10' ' ' ARG . 2.0 p -144.65 -104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.526 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 0.0 OUTLIER 175.98 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -150.76 157.62 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' ALA . 22.7 t -139.16 -142.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.98 -112.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.3 tt0 30.1 70.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.69 -4.14 6.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -53.73 173.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -86.89 156.68 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.425 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.88 63.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.7 -37.31 84.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.488 HD22 ' CD1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -65.06 -39.65 93.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.561 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 2.8 mtp -51.51 -55.72 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -30.58 71.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' CE1' ' A' ' 52' ' ' PHE . 12.4 mt -66.23 -43.51 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.577 HD13 ' CD2' ' A' ' 62' ' ' TYR . 8.0 mt -66.43 -45.03 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' CB ' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.29 -40.81 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.18 -32.87 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.611 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.1 mt -67.65 -42.05 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.799 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -92.27 20.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.15 -29.17 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -141.58 57.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -60.97 -162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.67 160.92 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -30.56 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -76.53 -52.53 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -130.18 77.78 75.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.92 42.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.799 ' CD2' ' HA ' ' A' ' 29' ' ' VAL . 60.2 m-85 -85.98 48.93 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.4 m -66.23 168.88 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -46.78 -33.78 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -66.66 -34.77 78.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -80.1 -71.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.7 OUTLIER -38.73 -50.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.46 -45.89 87.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.7 m-80 -67.7 -23.09 65.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -65.21 -39.43 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -56.11 -36.46 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 1.2 tttp -56.86 -19.65 18.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -61.48 -5.87 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 67.24 43.43 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 52' ' ' PHE . . . -126.66 -1.56 7.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.61 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 57.8 m-85 -164.16 170.03 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.6 61.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.566 HG11 ' CG2' ' A' ' 58' ' ' THR . 1.4 t -97.05 -172.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' O ' ' CG2' ' A' ' 59' ' ' VAL . . . -179.75 154.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -38.1 -45.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -57.67 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.566 ' CG2' HG11 ' A' ' 54' ' ' VAL . 1.3 m -60.25 -37.95 81.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.499 ' CG1' HG22 ' A' ' 43' ' ' ILE . 6.3 t -65.15 -39.65 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.86 98.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.03 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CD2' HD13 ' A' ' 25' ' ' ILE . 4.7 m-85 -68.47 -40.21 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -50.22 -42.19 51.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.465 ' CB ' ' HE1' ' A' ' 22' ' ' MET . 2.0 mpp? -68.21 -22.45 64.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.496 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.4 OUTLIER -151.82 65.15 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -167.43 172.62 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -174.9 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.55 142.01 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -174.54 4.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -144.62 -171.05 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.41 -173.67 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.22 -49.22 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 t 57.73 88.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -154.14 -63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 10' ' ' ARG . 4.0 pm0 34.23 -149.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -156.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' GLU . . . -55.68 -104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' ALA . 10.7 tt0 58.09 137.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.236 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.09 10.51 20.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' CD2' HD22 ' A' ' 21' ' ' LEU . 3.3 tp -40.72 147.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 5.6 p -92.31 156.47 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -61.57 -34.19 75.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.53 -40.9 37.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 13.6 mm-40 -63.55 -43.47 96.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.527 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -54.25 -43.3 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.641 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 46.0 mmm -56.5 -60.88 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -59.89 -26.29 65.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' CD1' HD21 ' A' ' 16' ' ' LEU . 3.1 tt -65.95 -45.08 83.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.603 HD13 ' CD2' ' A' ' 62' ' ' TYR . 4.9 mt -68.49 -45.08 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.56 -38.99 93.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -67.44 -30.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 43' ' ' ILE . 3.1 t -90.37 2.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.64 -28.26 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -137.59 51.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.625 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.18 -157.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.48 160.47 26.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -69.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -10.08 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.13 78.87 39.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.642 ' CE2' ' O ' ' A' ' 28' ' ' ILE . 2.4 m-85 -152.93 58.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.5 t -74.67 -174.04 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.542 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -60.0 -35.6 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.1 tp60 -65.0 -51.17 63.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.1 tt0 -62.67 -68.77 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CG2' HG13 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -41.83 -46.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -57.16 -43.63 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.51 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.8 m-80 -68.4 -35.69 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.525 HD12 ' CE1' ' A' ' 38' ' ' TYR . 4.2 mt -53.9 -44.71 61.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -49.85 -40.67 43.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.12 -26.24 60.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -64.26 -10.98 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 -44.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.12 28.95 5.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -56.22 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.0 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.47 50.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -111.24 174.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -179.48 155.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' ALA . 14.1 mmt85 -34.15 -45.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -54.72 41.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.484 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.2 m -60.06 -42.81 95.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.509 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.4 t -64.83 -46.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.96 72.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.09 -44.81 91.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.641 ' CD2' ' SD ' ' A' ' 22' ' ' MET . 3.9 m-85 -66.73 -40.28 88.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -43.43 -41.04 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.55 -37.0 76.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' TYR . 2.1 mpp? -67.57 -38.09 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 HD23 ' CG2' ' A' ' 25' ' ' ILE . 0.4 OUTLIER -83.11 -64.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -95.8 -177.04 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -120.63 -164.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.66 116.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 121.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -150.7 165.19 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -174.53 146.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -176.15 139.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.22 -105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -172.45 -59.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 10.0 tt0 86.98 144.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -177.68 165.71 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.525 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . . . -57.75 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.0 tt0 32.63 65.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.46 6.4 15.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD12 ' CB ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -48.43 175.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -87.48 156.58 19.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -60.24 -34.37 73.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.42 -35.87 55.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' CB ' HD12 ' A' ' 16' ' ' LEU . 3.1 mm-40 -65.63 -30.87 71.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -50.27 -40.67 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.469 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 22.4 ttm -52.96 -56.98 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -65.18 -33.14 75.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 16' ' ' LEU . 2.6 tt -66.92 -38.8 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.69 -44.13 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.69 -24.87 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 2.5 mt-10 -64.38 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -67.41 -31.55 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.52 18.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 4.3 mm-40 -69.99 -28.37 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -152.34 57.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.636 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -61.99 -161.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.71 154.47 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.37 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 1.2 ptm85 -82.57 -8.62 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -166.9 70.12 1.02 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.35 42.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.642 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 44.6 m-85 -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -74.69 168.41 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -46.14 -28.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.587 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 10.9 tp60 -66.22 -58.4 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 5.7 tt0 -57.77 -72.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.641 ' HA ' ' HB ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -34.08 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -58.17 -57.45 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.0 OUTLIER -70.5 -9.32 56.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.641 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 1.6 mt -81.74 -46.89 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.511 ' CD2' HG23 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.03 -32.84 66.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -38.14 69.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -32.71 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.447 ' HG3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -83.52 -54.67 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.14 8.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.544 1.153 . . . . 0.0 111.032 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 13.3 m-85 -59.05 138.62 57.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -74.86 84.17 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -126.85 -161.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.14 149.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.88 -43.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.26 -57.22 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.53 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.29 -45.12 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG13 ' CG2' ' A' ' 43' ' ' ILE . 2.9 t -58.92 -42.9 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.78 -42.01 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -63.7 -44.07 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 25.6 m-85 -65.82 -38.86 90.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -41.41 93.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.35 -39.03 74.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.452 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.63 -38.36 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 6.8 mt -83.24 -69.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.556 0.217 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -159.1 103.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -134.11 173.78 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.56 -178.46 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -153.95 171.18 19.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -142.45 -174.87 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -166.01 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 8' ' ' PHE . 52.5 p90 -117.17 123.0 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 p -144.82 75.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -154.53 79.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.65 129.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -169.49 88.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.049 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -66.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 13' ' ' ALA . 4.7 tt0 33.23 58.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.28 -6.08 4.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' CD2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -42.53 161.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -86.68 156.84 19.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.86 -34.19 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -33.48 59.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -67.87 -41.56 82.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.43 -40.01 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.422 ' HG3' ' CD1' ' A' ' 66' ' ' LEU . 28.6 ttm -53.37 -57.21 11.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.28 -35.88 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 mt -66.21 -42.86 88.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.484 HG23 ' CD2' ' A' ' 66' ' ' LEU . 2.8 mt -66.82 -46.23 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 tttt -62.86 -25.98 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.62 -40.39 91.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 mp -67.91 -41.59 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 43' ' ' ILE . 0.7 OUTLIER -79.82 -10.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.5 tt0 -43.37 -30.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 1.7 m120 -158.99 60.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -60.57 156.98 15.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 4.5 t0 -85.05 161.42 19.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -71.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -8.41 56.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.354 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 8.2 mttt -131.79 83.75 56.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.2 Cg_endo -75.07 -156.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-85 -152.29 59.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -75.19 169.65 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 15.5 p-10 -44.31 -33.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.09 -54.35 31.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -61.1 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.489 ' CG2' HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -42.65 -47.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -56.82 -42.58 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.9 m-80 -65.96 -38.28 88.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' OE1' ' A' ' 42' ' ' GLU . 38.2 mt -61.42 -51.16 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.514 ' CD2' ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.36 -30.39 64.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.588 ' C ' ' H ' ' A' ' 50' ' ' LYS . 21.7 tttt -56.61 -18.64 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -64.55 7.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.588 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 70.15 48.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.79 -87.96 1.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.569 1.168 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 24' ' ' LEU . 24.4 m-85 -77.73 -40.82 39.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 84.82 85.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.596 ' CG1' ' CG2' ' A' ' 58' ' ' THR . 1.5 t -125.45 -147.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -178.53 135.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -32.79 -39.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -60.11 -60.39 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.596 ' CG2' ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.22 -41.66 93.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.489 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.7 t -63.16 -40.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.11 -42.05 76.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -63.88 -43.16 96.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 11.1 m-85 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -42.06 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -70.4 -38.71 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.7 mtm -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' CD2' HG23 ' A' ' 25' ' ' ILE . 8.5 mp -78.98 -66.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -80.54 103.18 10.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -131.78 170.6 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.951 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -99.69 175.8 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.09 112.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 6' ' ' THR . 1.8 m -143.25 15.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 6' ' ' THR . 7.5 m-85 -171.48 69.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -174.86 57.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.7 t -144.84 63.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -58.62 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 50.94 91.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -87.12 3.12 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 46.47 -170.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -156.37 -159.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.19 59.09 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.493 HD13 ' CD1' ' A' ' 24' ' ' LEU . 2.1 pt? -70.37 -169.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 2.6 p -86.8 156.29 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' GLY . 22.0 pt20 -61.54 -34.34 75.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.09 -38.9 59.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' HB3' ' CD1' ' A' ' 16' ' ' LEU . 2.3 mm-40 -67.65 -28.46 67.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -55.01 -39.76 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.521 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 8.6 mtp -52.74 -62.88 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -61.64 -27.19 68.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -67.03 -43.0 83.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.58 HD13 ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -61.25 -44.2 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -38.33 75.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.7 -38.95 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -80.48 3.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -28.35 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.8 55.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.611 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.19 172.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 1.7 t0 -84.6 165.41 18.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -65.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 1.9 ttp-105 -85.84 17.99 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 12.1 mttt -163.86 75.41 1.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.0 159.01 41.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 12.1 m-85 -85.93 62.25 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 m -75.24 169.99 16.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 4.1 p-10 -38.25 -34.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 20.2 tp60 -64.98 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -43.75 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.543 ' O ' ' HB ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -42.93 -48.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.15 -39.04 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.2 m120 -67.79 -25.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 22.5 mt -64.6 -42.72 95.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 55' ' ' ALA . 0.4 OUTLIER -56.81 -36.41 69.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.61 -25.45 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -64.6 3.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 7.8 ttpt 69.63 47.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.02 -91.59 2.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 1.5 m-85 -86.65 -176.23 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -115.11 61.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG13 ' CG2' ' A' ' 58' ' ' THR . 0.7 OUTLIER -93.5 -150.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.77 142.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -33.14 -47.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -53.25 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.537 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.1 m -60.26 -47.21 86.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 43' ' ' ILE . 2.2 t -58.82 -43.68 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.84 71.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -44.48 95.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.58 ' CD2' HD13 ' A' ' 25' ' ' ILE . 3.8 m-85 -66.43 -40.5 89.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -41.25 73.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -39.19 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.422 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 16.9 mtm -67.93 -36.42 80.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -77.44 -69.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -108.87 174.65 5.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -138.2 100.34 4.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -166.09 128.23 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.467 ' O ' ' CG2' ' A' ' 6' ' ' THR . 10.0 mtt180 171.82 78.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 5' ' ' ARG . 20.2 p -156.21 125.76 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 176.54 109.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.6 175.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 10' ' ' ARG . 92.9 t -144.66 -107.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 5.7 ttt85 -176.72 -69.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -177.64 -167.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.36 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.561 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . . . -107.53 -125.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.0 tt0 31.84 79.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.14 -5.52 5.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' CD2' HD21 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.37 159.36 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -80.93 156.93 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -55.91 -32.59 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.5 58.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -39.91 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.442 HD21 ' CD2' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.92 -40.06 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.42 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 32.5 mtp -52.9 -56.01 19.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.35 -30.65 69.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 52' ' ' PHE . 1.8 mt -66.68 -45.81 77.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.595 HD13 ' CD2' ' A' ' 62' ' ' TYR . 15.4 mt -68.88 -46.67 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.509 ' N ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.53 -30.21 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 12.6 mt-10 -67.08 -33.95 76.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.425 HG12 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.76 -42.7 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.705 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -91.18 12.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 8.3 pt-20 -56.43 -28.17 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' GLU . 13.5 p-10 -146.56 57.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -55.58 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -159.36 169.27 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 2.23 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -149.27 75.41 9.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -159.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.76 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.705 ' CD2' ' HA ' ' A' ' 29' ' ' VAL . 7.2 m-85 -153.3 47.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.88 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 3.6 p-10 -45.65 -33.61 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 3.1 tp60 -64.12 -56.55 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.1 tp10 -60.5 -67.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG21 ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -40.99 -48.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 40' ' ' ASP . . . -58.05 -44.67 87.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.3 m-80 -62.31 -34.15 76.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.425 HD11 HG12 ' A' ' 28' ' ' ILE . 17.2 mt -63.93 -51.02 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.498 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.68 -33.2 68.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.603 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.0 -18.58 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 8.5 pt-20 -64.48 8.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.603 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 70.35 45.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 52' ' ' PHE . . . -117.73 -17.48 5.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 51' ' ' GLY . 38.1 m-85 -163.84 158.92 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 0.722 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.64 88.24 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 ' CG2' ' A' ' 58' ' ' THR . 0.2 OUTLIER -129.91 -177.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.492 ' O ' ' C ' ' A' ' 56' ' ' ARG . . . -169.15 146.39 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ALA . 24.7 mtm180 -31.56 -44.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -56.53 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.559 ' CG2' HG12 ' A' ' 54' ' ' VAL . 1.1 m -60.27 -44.67 95.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.475 ' CG1' HG21 ' A' ' 43' ' ' ILE . 2.5 t -61.35 -43.25 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.35 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -62.45 -45.43 93.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.595 ' CD2' HD13 ' A' ' 25' ' ' ILE . 2.6 m-85 -67.3 -42.05 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -41.76 -40.65 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -67.95 -40.69 83.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' TYR . 23.4 mtm -70.2 -38.25 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -156.29 98.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -63.79 178.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.95 170.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 74.56 126.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -168.6 132.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 m 61.0 155.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -179.16 158.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 59.35 149.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.62 16.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' SER . 17.9 ttt85 52.21 64.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 12' ' ' SER . 1.0 OUTLIER 35.53 -95.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 p 86.18 125.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.62 ' CB ' ' CZ ' ' A' ' 52' ' ' PHE . . . 39.27 -127.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 13' ' ' ALA . 72.2 tt0 47.55 101.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.38 3.83 62.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -48.85 163.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -86.6 159.91 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -57.44 -34.37 68.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -41.32 48.77 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' CB ' HD11 ' A' ' 16' ' ' LEU . 18.2 mt-10 -58.23 -31.01 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' CD2' HD23 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -48.04 -41.35 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 ttm -49.39 -57.44 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.69 -30.63 70.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD12 ' CE2' ' A' ' 52' ' ' PHE . 2.2 tt -67.66 -39.93 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.568 ' CD1' ' CD2' ' A' ' 62' ' ' TYR . 7.7 mt -67.88 -45.17 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' CB ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -62.99 -38.02 89.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -58.79 -37.52 76.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.635 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.76 -39.05 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -78.85 4.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -153.17 61.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.667 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.28 -158.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.529 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 2.1 t0 -158.01 151.22 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -77.3 -45.52 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -7.08 53.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -166.79 69.29 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.07 157.98 42.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.667 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 40.1 m-85 -85.75 64.87 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 9.6 t -70.15 -176.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -59.95 -38.64 83.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.528 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -66.15 -46.7 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.8 tt0 -64.39 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CG2' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -41.19 -46.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.51 ' O ' ' CD2' ' A' ' 47' ' ' LEU . . . -57.73 -45.6 85.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.514 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 6.6 m-80 -69.23 -26.52 64.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.519 HD13 ' CE1' ' A' ' 38' ' ' TYR . 1.3 mt -63.26 -43.39 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -48.2 -37.54 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.41 -32.14 66.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 32.6 mt-10 -36.26 -35.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 8.8 tptt -156.11 22.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 56.06 65.64 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 13' ' ' ALA . 9.9 m-30 -83.94 31.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 47' ' ' LEU . 17.5 tttp 64.09 -116.86 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.544 ' O ' ' CB ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER 50.9 -160.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 54' ' ' VAL . . . 160.02 147.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.13 -47.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -54.26 46.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.8 m -60.06 -44.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.498 HG12 ' CG2' ' A' ' 43' ' ' ILE . 3.1 t -59.27 -43.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.07 92.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -42.7 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.568 ' CD2' ' CD1' ' A' ' 25' ' ' ILE . 1.2 m-85 -63.42 -41.57 98.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -42.14 33.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -39.92 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.6 mtm -68.21 -38.71 82.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 HD13 ' CB ' ' A' ' 26' ' ' LYS . 3.4 mm? -62.4 -61.94 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.06 -32.18 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.22 62.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.17 -38.85 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.556 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 3.7 mtp -52.9 -61.8 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -28.17 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.48 -44.28 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.106 HD12 ' CD2' ' A' ' 62' ' ' TYR . 19.3 mt -66.52 -44.87 90.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -64.21 -39.87 94.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -37.1 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.68 -26.27 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.6 t -92.73 10.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -70.67 -28.65 64.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -139.65 49.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.2 -151.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -157.51 154.39 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -48.34 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -86.34 5.91 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.1 63.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 156.5 43.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 30.2 m-85 -86.31 58.82 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -65.86 168.73 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 p-10 -44.42 -35.77 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -65.02 -48.47 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' ASN . 2.5 tp10 -61.35 -70.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -42.52 -46.33 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.87 -42.54 84.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.8 m120 -65.15 -38.74 91.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 6.1 mt -50.99 -43.82 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.03 -36.02 48.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -17.03 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.23 142.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' ALA . 6.9 mmm-85 -33.19 -45.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -55.71 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.571 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -60.35 -42.89 96.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.8 t -62.76 -43.13 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.23 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -45.21 92.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.106 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.8 m-85 -67.5 -41.64 84.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -41.4 18.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -37.97 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.9 mtm -67.55 -18.9 65.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -34.02 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -37.46 58.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -66.91 -35.51 80.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -38.86 -40.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.507 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 5.2 mtp -53.82 -54.27 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.23 -26.38 66.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.8 tt -66.44 -43.31 85.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.089 HD12 ' CD2' ' A' ' 62' ' ' TYR . 28.5 mt -68.06 -44.05 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -33.92 76.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.055 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -39.88 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -68.07 -39.2 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.87 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -81.1 -2.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -11.73 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -158.69 52.29 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.611 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -62.12 -156.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.7 162.12 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -68.45 -67.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -74.55 -4.24 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 79.06 25.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' OE1' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.3 m-85 -153.29 51.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.74 169.52 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.6 p-10 -46.21 -33.29 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.6 tp60 -64.76 -56.25 14.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -62.5 -64.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.876 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.92 -47.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.59 -44.18 85.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLU . 4.9 m120 -68.55 -24.54 64.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 38' ' ' TYR . 7.4 mt -72.31 -48.44 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.742 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.17 -29.19 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -56.76 -35.1 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.742 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 161.03 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -32.32 -46.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -61.12 -53.15 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 m -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -56.58 -45.82 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.3 64.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -64.12 -43.57 94.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.089 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.1 m-85 -66.11 -40.43 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -41.8 56.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.26 -39.24 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.457 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 15.3 mtm -67.52 -36.79 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' ILE . 1.6 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -54.87 -32.43 60.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.25 -36.66 63.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.82 -39.02 87.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.44 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 13.6 mtp -53.48 -58.28 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -28.19 67.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.32 -42.3 88.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.998 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -65.26 -45.16 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.49 -30.58 71.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -38.78 83.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -65.56 -37.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 43' ' ' ILE . 1.5 t -79.91 -2.2 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.31 -28.97 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.14 51.69 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.34 -157.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -157.84 145.68 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -76.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -7.31 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 33' ' ' ASP . 7.4 mttt -131.92 79.93 66.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.2 Cg_endo -75.05 -160.44 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.774 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.4 m-85 -153.41 53.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -75.31 177.9 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -46.44 -32.89 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.873 ' HG3' HD22 ' A' ' 45' ' ' ASN . 2.0 tp-100 -65.24 -73.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 3.0 tp10 -41.29 -66.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -43.78 -49.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.35 -43.18 88.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.873 HD22 ' HG3' ' A' ' 41' ' ' GLN . 3.1 m-20 -62.72 -38.86 92.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 48.9 mt -51.0 -44.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -51.35 -35.85 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -56.9 -18.36 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.578 ' CG1' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 174.15 148.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 28.4 mtp180 -32.29 -47.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -54.65 42.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.578 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.33 -43.22 96.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -62.54 -40.88 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.42 91.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.998 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -67.06 -40.36 87.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -41.51 70.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -38.89 77.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 16.1 mtm -67.73 -37.6 82.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 26' ' ' LYS . 7.5 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.08 -33.21 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.35 52.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -40.57 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -40.53 85.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.574 ' HE3' ' SD ' ' A' ' 65' ' ' MET . 20.3 mtp -54.78 -59.58 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -28.93 68.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 mt -67.06 -44.09 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.114 HD12 ' CD2' ' A' ' 62' ' ' TYR . 17.4 mt -66.57 -46.68 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.596 ' CG ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.94 -22.89 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 5.5 mt-10 -67.06 -39.78 86.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.581 HG21 HD12 ' A' ' 46' ' ' ILE . 1.2 mp -68.02 -25.95 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -91.72 20.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 45.2 mt-10 -68.64 -29.34 67.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -147.42 54.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -62.06 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 4.5 t70 -159.63 146.86 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -67.7 -41.13 84.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -67.0 -51.75 51.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.98 75.65 78.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -74.99 158.34 42.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.7 m-85 -85.78 62.32 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -67.71 -175.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.0 p30 -57.32 -34.75 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.31 -48.82 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.7 tt0 -61.7 -70.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -41.71 -46.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.21 -43.72 83.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.2 m120 -65.9 -31.77 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.581 HD12 HG21 ' A' ' 28' ' ' ILE . 16.3 mt -66.1 -50.47 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.891 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.34 -34.53 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -15.25 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 53.6 mt-10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.891 HG21 ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 163.85 140.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.8 mmm180 -32.12 -46.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -54.56 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.13 -46.12 90.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.5 t -59.8 -46.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.61 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -63.28 -43.21 98.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.114 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -64.56 -42.59 95.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -51.96 -42.11 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.94 -36.86 72.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.574 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 10.5 mtm -67.95 -24.81 65.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.596 HD13 ' CG ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.415 ' OG1' ' CG ' ' A' ' 20' ' ' GLU . 8.5 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -34.32 40.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.62 49.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 mm-40 -59.17 -41.09 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -51.53 -41.32 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.614 ' SD ' HD21 ' A' ' 66' ' ' LEU . 39.2 tpp -55.65 -60.28 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -31.75 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 tt -66.88 -43.97 82.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.81 -44.98 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 2.3 tttt -65.64 -34.29 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.85 -39.85 65.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.544 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 2.1 mt -67.92 -40.38 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -83.12 -2.4 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' LYS . 1.6 tm-20 -48.32 -29.82 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 2.0 p30 -158.8 44.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -40.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -84.56 157.59 21.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -71.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -5.9 47.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 10.6 mtpp -133.12 81.41 56.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.3 Cg_endo -75.0 -158.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 11.7 m-85 -152.59 61.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -171.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 5.7 p-10 -58.7 -34.84 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.2 tp60 -64.23 -50.03 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 2.3 tp10 -63.03 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.606 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -43.83 -46.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.676 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.31 -43.43 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.8 m120 -67.81 -28.65 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 4.2 mt -66.15 -37.81 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.913 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -55.84 -35.83 66.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -56.62 -25.71 53.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 3.5 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.913 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 159.04 148.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 42.9 mtp180 -33.33 -46.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -53.94 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 62' ' ' TYR . 1.3 m -60.08 -45.44 92.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -59.77 -45.71 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.17 65.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.14 -43.56 94.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.679 ' CD2' HD12 ' A' ' 25' ' ' ILE . 7.9 m-85 -65.23 -41.28 94.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.14 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.61 -34.62 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.614 HD21 ' SD ' ' A' ' 22' ' ' MET . 1.7 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -34.61 60.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.82 59.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -67.15 -40.41 86.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -57.46 -40.64 78.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 41.4 tpp -54.79 -65.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 mttt -60.51 -28.28 68.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 11.4 mt -66.12 -44.33 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 29' ' ' VAL . 6.0 mt -65.56 -43.17 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 ttpm? -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -53.56 -37.44 62.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 46' ' ' ILE . 6.8 mt -67.78 -31.59 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -90.87 17.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.77 -28.77 66.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -148.88 56.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.63 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.08 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -157.92 150.36 22.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.29 -31.4 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.41 -6.56 54.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.88 69.29 1.01 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.01 42.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 51.2 m-85 -85.67 64.5 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 m -71.04 168.32 17.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -42.02 -34.78 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -64.94 -47.35 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.601 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.5 tt0 -62.21 -70.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.619 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.41 -46.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.679 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.41 -43.74 84.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.1 m120 -64.12 -39.11 93.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 HG21 ' A' ' 28' ' ' ILE . 13.9 mt -55.19 -36.17 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.62 -29.92 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -56.49 -26.15 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.868 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 170.96 138.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 ptm180 -33.43 -44.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.63 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -61.25 -40.22 93.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.5 t -63.47 -40.7 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.71 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -63.96 -42.94 97.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.649 ' CG ' HD12 ' A' ' 25' ' ' ILE . 13.1 m-85 -62.61 -39.39 93.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -49.9 -41.88 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.24 -39.03 75.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.47 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 28.8 mtm -67.64 -37.29 82.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.713 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.3 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' GLU . 2.1 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.3 mp0 -41.87 -34.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -76.95 -38.94 29.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.097 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 17' ' ' THR . 2.0 mm-40 -67.38 -44.4 79.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.96 -39.59 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 4.2 mtp -52.26 -60.26 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -27.73 64.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.3 mt -66.0 -44.88 83.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 62' ' ' TYR . 11.2 mt -68.0 -45.05 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -63.98 -39.97 95.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.33 -36.54 71.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.77 -29.73 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 43' ' ' ILE . 1.4 t -89.81 15.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.17 -28.93 65.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -146.27 54.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.626 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.1 -157.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 10.4 t0 -160.64 150.87 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -40.35 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -78.97 -8.73 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 68.88 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.502 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.0 158.89 41.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.626 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 45.5 m-85 -85.91 58.72 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 168.37 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p-10 -48.5 -35.1 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 1.3 tp60 -66.56 -50.3 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.6 tt0 -64.64 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.838 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.21 -44.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.762 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.11 -45.32 83.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.1 m120 -67.77 -23.59 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.498 HD13 HG12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -70.3 -34.31 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.98 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.32 -38.22 70.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -41.87 80.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.98 ' HB ' HD22 ' A' ' 47' ' ' LEU . 1.1 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 173.53 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -38.05 -47.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -46.0 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.6 m -67.85 -43.76 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.12 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.58 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -44.77 92.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.4 m-85 -66.87 -41.81 86.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -47.05 -40.8 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -38.34 73.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.415 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 23.7 mtm -67.87 -18.64 64.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -33.08 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.61 -41.66 50.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.11 -40.4 76.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.92 -40.55 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.6 mtp -56.57 -60.62 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -60.28 -26.58 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.3 -43.82 85.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.963 HD12 ' CD2' ' A' ' 62' ' ' TYR . 6.0 mt -67.55 -44.74 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -63.38 -31.04 72.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -39.27 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.696 ' CG2' ' CD1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.74 -42.33 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -77.88 3.23 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.19 -22.01 63.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -156.92 58.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 1.7 pt-20 -62.14 -158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.23 164.22 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.78 -67.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -3.54 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.16 78.31 15.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -160.59 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 2.4 m-85 -153.22 53.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 168.78 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -48.49 -27.73 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.729 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -67.98 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.658 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 tt0 -55.46 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -34.41 -37.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -57.9 -53.89 53.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.658 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -68.67 -12.46 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.629 HD11 ' HE1' ' A' ' 38' ' ' TYR . 5.9 mt -81.56 -47.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.79 -35.57 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -38.58 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.732 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 54' ' ' VAL . . . 159.28 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -32.4 -44.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -55.32 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.51 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.4 -48.06 83.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.5 t -57.11 -43.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.09 59.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.963 ' CD2' HD12 ' A' ' 25' ' ' ILE . 6.4 m-85 -65.54 -40.31 92.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -41.02 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.76 79.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.3 mpp? -67.76 -37.55 82.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.1 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -34.1 57.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.89 -35.24 58.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 24' ' ' LEU . 10.0 mt-10 -67.08 -40.14 86.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.23 -40.97 87.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.884 ' HG3' HD22 ' A' ' 66' ' ' LEU . 27.7 ttm -54.42 -59.25 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -35.02 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.0 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 66' ' ' LEU . 4.9 mt -67.58 -45.31 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.833 ' HB2' HD13 ' A' ' 66' ' ' LEU . 1.7 tmmm? -63.49 -33.13 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.57 -41.17 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.2 mp -67.98 -41.0 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG12 ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -83.9 7.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -29.62 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -158.82 45.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG2' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -43.17 156.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -84.82 158.8 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -5.67 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 15.9 ttpp -134.34 82.4 46.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.4 Cg_endo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.6 ' O ' HD12 ' A' ' 43' ' ' ILE . 9.2 m-85 -152.5 62.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.8 t -75.13 -172.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.689 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -59.72 -32.72 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.2 tp60 -65.39 -53.66 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 1.7 tm-20 -60.85 -67.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.769 HG22 HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.1 -47.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -54.87 -43.77 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLU . 4.1 m120 -67.11 -34.58 77.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.48 -48.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.779 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.09 -27.25 61.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -21.04 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.779 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 176.17 133.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' ALA . 5.1 mtp180 -33.0 -39.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -59.97 -60.07 4.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.626 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.75 -42.89 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.7 t -61.32 -39.34 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.81 -42.14 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -63.65 -43.25 97.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.2 m-85 -63.77 -35.4 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -42.4 68.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -70.93 -40.1 72.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.507 ' HB3' ' HE1' ' A' ' 22' ' ' MET . 30.5 mtm -68.4 -23.2 64.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.412 ' HG1' ' CD ' ' A' ' 20' ' ' GLU . 7.3 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -54.37 -34.53 61.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.89 -34.94 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 66.7 mt-10 -66.06 -40.55 90.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -59.48 -39.0 82.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.487 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 17.7 mtp -51.18 -60.73 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -64.32 -28.52 69.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -67.1 -42.86 83.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -66.07 -45.62 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.742 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.1 ttmm -65.36 -33.92 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 1.7 mt-10 -57.68 -38.91 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 46' ' ' ILE . 5.2 mt -67.78 -38.1 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.806 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.72 -8.32 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 3.3 tt0 -71.48 -4.89 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -157.11 45.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.48 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -158.45 162.17 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -68.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -4.96 41.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -136.76 80.35 37.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.696 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.8 m-85 -153.43 56.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -75.21 -179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -47.57 -32.36 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.835 ' HG3' HD22 ' A' ' 45' ' ' ASN . 1.5 tp-100 -65.21 -73.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.57 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.7 tt0 -40.81 -68.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.806 HD11 HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -42.58 -49.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.593 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.04 -43.35 86.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.835 HD22 ' HG3' ' A' ' 41' ' ' GLN . 4.2 m-20 -60.96 -39.33 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 28' ' ' ILE . 29.1 mt -56.33 -38.87 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -53.09 -35.65 59.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -56.45 -18.21 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 166.35 138.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -34.29 -44.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -60.59 -55.85 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.685 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -61.64 -40.22 94.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.0 t -64.53 -38.04 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.47 98.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.08 -43.11 99.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.9 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.2 m-85 -65.14 -40.49 94.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -41.41 52.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.07 -37.99 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.487 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 21.0 mtm -67.64 -37.96 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.39 -34.16 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.46 52.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.9 mm-40 -62.17 -37.9 87.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD21 HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -63.22 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 9.1 mtp -57.31 -61.49 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.17 -28.11 67.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -66.39 -43.63 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.87 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.21 -45.98 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -33.93 77.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -59.84 -37.02 78.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.626 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -67.17 -31.93 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -86.8 18.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.6 mm-40 -68.73 -28.03 66.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -142.94 55.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -61.67 -144.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 5.0 t70 -157.45 -143.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -155.91 46.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.32 -34.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -149.75 56.84 2.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.95 -174.83 2.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.856 ' O ' HD12 ' A' ' 43' ' ' ILE . 35.0 m-85 -85.2 59.68 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.62 167.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -45.25 -39.93 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.45 -44.09 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 12.9 tt0 -63.92 -70.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -41.13 -44.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.24 -44.7 84.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 22.9 m-80 -68.43 -37.82 80.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.474 HD13 HG12 ' A' ' 28' ' ' ILE . 3.4 mt -52.44 -44.81 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.27 -34.16 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -25.86 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.817 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -176.19 151.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.5 mtp85 -33.73 -46.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -53.7 54.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.3 -43.17 96.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -63.86 -46.05 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.8 76.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -63.86 -45.02 91.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.87 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.0 m-85 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -41.02 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.23 -39.35 78.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.45 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.9 mpp? -68.14 -37.35 80.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.7 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -32.1 61.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.09 -37.44 63.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.57 -39.35 88.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -61.14 -39.57 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.874 ' SD ' HD13 ' A' ' 66' ' ' LEU . 35.0 tpp -51.37 -61.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -61.87 -28.24 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -66.12 -45.01 82.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -68.23 -45.99 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.033 ' HB2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.59 -33.37 75.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.81 -39.81 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 mt -67.72 -38.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.93 -0.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.15 -29.01 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -134.56 48.66 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.25 -156.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.35 157.34 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -63.18 -69.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -5.83 43.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 78.86 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 -159.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.785 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.0 m-85 -153.32 53.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.5 169.4 17.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -42.95 -35.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 5.7 tp60 -60.51 -58.76 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.2 tp10 -59.42 -64.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.785 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -43.43 -49.11 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.48 -39.6 80.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.5 m120 -68.93 -22.15 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 7.2 mt -65.79 -44.98 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.753 HD22 ' HB ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -56.16 -36.78 68.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 21.1 mttm -56.71 -21.13 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.753 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 175.81 151.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 74.1 mtm180 -33.35 -47.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -61.41 -52.1 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.3 m -60.2 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.03 -46.45 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.68 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -42.56 97.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.681 ' O ' HD23 ' A' ' 66' ' ' LEU . 7.9 m-85 -65.17 -40.62 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -47.37 -40.65 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.12 -40.06 82.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.438 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 31.6 mtm -68.73 -33.08 73.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.033 HD12 ' HB2' ' A' ' 26' ' ' LYS . 1.3 pt? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.249 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -52.22 -34.35 45.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.7 -33.46 60.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -67.9 -39.37 83.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' OH ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.0 -40.91 90.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.785 ' SD ' HD22 ' A' ' 66' ' ' LEU . 28.4 tpp -54.97 -57.54 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.23 -29.11 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 28' ' ' ILE . 6.2 mt -66.76 -44.73 80.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 66' ' ' LEU . 8.3 mt -67.97 -45.1 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.35 -40.37 93.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -53.45 -36.81 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.5 -39.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.9 t -79.35 18.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.8 mm-40 -66.5 -27.86 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -150.68 53.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -157.58 150.77 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -77.24 -50.72 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -74.02 -3.8 31.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 70.3 1.09 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.503 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 15.6 m-30 -85.9 61.91 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.44 169.3 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -42.75 -33.17 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -64.54 -46.88 80.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' TYR . 5.9 tp10 -64.33 -69.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.603 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.53 -45.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.15 -44.4 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.7 m120 -67.81 -36.14 79.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 28' ' ' ILE . 13.3 mt -57.67 -44.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.971 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -51.97 -34.71 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -56.27 -28.23 57.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.971 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 16.5 mtp-105 -39.9 -50.68 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -61.66 -37.68 84.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 57' ' ' ARG . 2.1 m -71.85 -52.53 16.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -54.41 -37.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.39 82.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -44.78 90.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.018 ' CD2' HD12 ' A' ' 25' ' ' ILE . 8.6 m-85 -67.24 -40.41 86.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -42.38 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.64 -32.94 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' TYR . 1.9 mpp? -67.59 -28.98 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.064 HD11 HG22 ' A' ' 25' ' ' ILE . 2.6 pt? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.88 63.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.7 -37.31 84.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -65.06 -39.65 93.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.561 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 2.8 mtp -51.51 -55.72 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -30.58 71.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.4 mt -66.23 -43.51 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.102 HD12 ' CD2' ' A' ' 62' ' ' TYR . 8.0 mt -66.43 -45.03 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.835 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.29 -40.81 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.18 -32.87 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.1 mt -67.65 -42.05 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.788 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -92.27 20.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.15 -29.17 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -141.58 57.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -60.97 -162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.67 160.92 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -30.56 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -76.53 -52.53 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -130.18 77.78 75.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.92 42.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.789 ' O ' HD12 ' A' ' 43' ' ' ILE . 60.2 m-85 -85.98 48.93 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.4 m -66.23 168.88 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -46.78 -33.78 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -66.66 -34.77 78.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -80.1 -71.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -38.73 -50.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.744 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.46 -45.89 87.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.7 m-80 -67.7 -23.09 65.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -65.21 -39.43 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -56.11 -36.46 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 1.2 tttp -56.86 -19.65 18.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 55' ' ' ALA . 1.4 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.987 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.75 154.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -38.1 -45.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -57.67 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.515 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.3 m -60.25 -37.95 81.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 55' ' ' ALA . 6.3 t -65.15 -39.65 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.86 98.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.03 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.102 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.7 m-85 -68.47 -40.21 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -42.19 51.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.408 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 2.0 mpp? -68.21 -22.45 64.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 5.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -61.57 -34.19 75.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.53 -40.9 37.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 13.6 mm-40 -63.55 -43.47 96.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.25 -43.3 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.641 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 46.0 mmm -56.5 -60.88 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -59.89 -26.29 65.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 28' ' ' ILE . 3.1 tt -65.95 -45.08 83.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.006 HD12 ' CD2' ' A' ' 62' ' ' TYR . 4.9 mt -68.49 -45.08 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.56 -38.99 93.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.875 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.44 -30.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.79 ' CG2' HD11 ' A' ' 43' ' ' ILE . 3.1 t -90.37 2.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.64 -28.26 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -137.59 51.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.608 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.18 -157.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.48 160.47 26.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -69.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -10.08 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.13 78.87 39.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.728 ' CE1' HD11 ' A' ' 46' ' ' ILE . 2.4 m-85 -152.93 58.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.5 t -74.67 -174.04 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -60.0 -35.6 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.0 -51.17 63.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.1 tt0 -62.67 -68.77 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.79 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -41.83 -46.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.753 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.16 -43.63 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.9 m120 -68.4 -35.69 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.875 HD12 HG21 ' A' ' 28' ' ' ILE . 4.2 mt -53.9 -44.71 61.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.926 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -49.85 -40.67 43.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.12 -26.24 60.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.926 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.48 155.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' ALA . 14.1 mmt85 -34.15 -45.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -54.72 41.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.488 HG21 HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.06 -42.81 95.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.83 -46.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.96 72.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.09 -44.81 91.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.006 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.9 m-85 -66.73 -40.28 88.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -43.43 -41.04 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.55 -37.0 76.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' TYR . 2.1 mpp? -67.57 -38.09 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 62' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -60.24 -34.37 73.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.42 -35.87 55.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.63 -30.87 71.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -50.27 -40.67 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.836 ' HG3' HD21 ' A' ' 66' ' ' LEU . 22.4 ttm -52.96 -56.98 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -65.18 -33.14 75.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.6 tt -66.92 -38.8 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 mt -67.69 -44.13 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.69 -24.87 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 2.5 mt-10 -64.38 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -67.41 -31.55 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -85.52 18.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 4.3 mm-40 -69.99 -28.37 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -152.34 57.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -61.99 -161.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.71 154.47 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.37 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 1.2 ptm85 -82.57 -8.62 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -166.9 70.12 1.02 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.35 42.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HB3' HD12 ' A' ' 43' ' ' ILE . 44.6 m-85 -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -74.69 168.41 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -46.14 -28.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -66.22 -58.4 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.601 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 5.7 tt0 -57.77 -72.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.662 HD12 ' HB3' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -34.08 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -58.17 -57.45 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -70.5 -9.32 56.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.641 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 1.6 mt -81.74 -46.89 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.03 -32.84 66.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -38.14 69.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.74 HG21 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.88 -43.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.26 -57.22 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.539 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.29 -45.12 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.9 t -58.92 -42.9 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.78 -42.01 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -63.7 -44.07 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 25.6 m-85 -65.82 -38.86 90.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -41.41 93.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.35 -39.03 74.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.453 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.63 -38.36 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 22' ' ' MET . 6.8 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.86 -34.19 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -33.48 59.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -67.87 -41.56 82.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.43 -40.01 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.814 ' HG3' HD11 ' A' ' 66' ' ' LEU . 28.6 ttm -53.37 -57.21 11.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.28 -35.88 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 21' ' ' LEU . 15.2 mt -66.21 -42.86 88.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.692 HG23 HD13 ' A' ' 43' ' ' ILE . 2.8 mt -66.82 -46.23 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 tttt -62.86 -25.98 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.62 -40.39 91.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 mp -67.91 -41.59 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.678 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -79.82 -10.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.5 tt0 -43.37 -30.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -158.99 60.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -60.57 156.98 15.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 4.5 t0 -85.05 161.42 19.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -71.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -8.41 56.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.354 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 8.2 mttt -131.79 83.75 56.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.2 Cg_endo -75.07 -156.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-85 -152.29 59.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -75.19 169.65 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.677 ' HA ' HG12 ' A' ' 59' ' ' VAL . 15.5 p-10 -44.31 -33.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.09 -54.35 31.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -61.1 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.741 HG22 HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -42.65 -47.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -56.82 -42.58 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.7 m120 -65.96 -38.28 88.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' OE1' ' A' ' 42' ' ' GLU . 38.2 mt -61.42 -51.16 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.816 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.36 -30.39 64.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -56.61 -18.64 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.816 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -178.53 135.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -32.79 -39.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -60.11 -60.39 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.617 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.22 -41.66 93.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -63.16 -40.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.11 -42.05 76.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -63.88 -43.16 96.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 11.1 m-85 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -42.06 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -70.4 -38.71 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.7 mtm -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 22' ' ' MET . 8.5 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' GLY . 22.0 pt20 -61.54 -34.34 75.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.09 -38.9 59.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HB2' ' OG1' ' A' ' 17' ' ' THR . 2.3 mm-40 -67.65 -28.46 67.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -39.76 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.504 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 8.6 mtp -52.74 -62.88 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -61.64 -27.19 68.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.03 -43.0 83.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -61.25 -44.2 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -38.33 75.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.7 -38.95 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -80.48 3.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -28.35 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.8 55.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.19 172.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 1.7 t0 -84.6 165.41 18.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -65.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 1.9 ttp-105 -85.84 17.99 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 12.1 mttt -163.86 75.41 1.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HA ' ' HB2' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.0 159.01 41.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 12.1 m-85 -85.93 62.25 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 m -75.24 169.99 16.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.1 p-10 -38.25 -34.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.87 ' HG3' HD22 ' A' ' 45' ' ' ASN . 1.1 tp-100 -64.98 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 3.0 tp10 -43.75 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -42.93 -48.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.15 -39.04 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.87 HD22 ' HG3' ' A' ' 41' ' ' GLN . 6.0 m-20 -67.79 -25.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 22.5 mt -64.6 -42.72 95.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.81 -36.41 69.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -56.61 -25.45 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.725 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.77 142.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -33.14 -47.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -53.25 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.55 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.26 -47.21 86.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.82 -43.68 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.84 71.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -44.48 95.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.952 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.8 m-85 -66.43 -40.5 89.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -41.25 73.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -39.19 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.422 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 16.9 mtm -67.93 -36.42 80.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.55 ' CD2' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -55.91 -32.59 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.5 58.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -39.91 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.06 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.42 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 32.5 mtp -52.9 -56.01 19.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.35 -30.65 69.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.8 mt -66.68 -45.81 77.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 1.048 HD12 ' CD2' ' A' ' 62' ' ' TYR . 15.4 mt -68.88 -46.67 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.711 ' HB2' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.53 -30.21 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 12.6 mt-10 -67.08 -33.95 76.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.76 -42.7 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.705 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -91.18 12.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 8.3 pt-20 -56.43 -28.17 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' GLU . 13.5 p-10 -146.56 57.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -55.58 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -159.36 169.27 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 2.23 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -149.27 75.41 9.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -159.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.76 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 43' ' ' ILE . 7.2 m-85 -153.3 47.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.88 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.6 p-10 -45.65 -33.61 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 3.1 tp60 -64.12 -56.55 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.1 tp10 -60.5 -67.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -40.99 -48.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.05 -44.67 87.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.4 m120 -62.31 -34.15 76.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' HE1' ' A' ' 38' ' ' TYR . 17.2 mt -63.93 -51.02 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.62 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.68 -33.2 68.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -18.58 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -169.15 146.39 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ALA . 24.7 mtm180 -31.56 -44.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -56.53 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.56 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.27 -44.67 95.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 44' ' ' ALA . 2.5 t -61.35 -43.25 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.35 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -62.45 -45.43 93.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.048 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.6 m-85 -67.3 -42.05 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -41.76 -40.65 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -67.95 -40.69 83.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' TYR . 23.4 mtm -70.2 -38.25 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -57.44 -34.37 68.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -41.32 48.77 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -58.23 -31.01 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HG ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -48.04 -41.35 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 ttm -49.39 -57.44 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.69 -30.63 70.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.2 tt -67.66 -39.93 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.7 mt -67.88 -45.17 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -62.99 -38.02 89.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -58.79 -37.52 76.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.635 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.76 -39.05 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -78.85 4.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -153.17 61.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.644 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.28 -158.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.529 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 2.1 t0 -158.01 151.22 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -77.3 -45.52 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -7.08 53.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -166.79 69.29 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.07 157.98 42.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.749 ' O ' HD12 ' A' ' 43' ' ' ILE . 40.1 m-85 -85.75 64.87 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 9.6 t -70.15 -176.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -59.95 -38.64 83.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.15 -46.7 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.526 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.8 tt0 -64.39 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -41.19 -46.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.73 -45.6 85.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.486 ' OD1' ' NE2' ' A' ' 41' ' ' GLN . 3.8 m120 -69.23 -26.52 64.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.626 HD13 HG12 ' A' ' 28' ' ' ILE . 1.3 mt -63.26 -43.39 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.707 HD22 ' HB ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -48.2 -37.54 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.41 -32.14 66.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 32.6 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.02 147.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.13 -47.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -54.26 46.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.8 m -60.06 -44.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.1 t -59.27 -43.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.07 92.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -42.7 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.729 ' CD2' HD12 ' A' ' 25' ' ' ILE . 1.2 m-85 -63.42 -41.57 98.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -42.14 33.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -39.92 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.6 mtm -68.21 -38.71 82.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 1' ' ' THR . 15.3 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 3' ' ' SER . 27.3 p90 -179.02 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -62.26 146.07 51.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.07 160.62 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 5' ' ' ARG . 10.6 mtp-105 56.89 170.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -82.39 -173.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -127.86 105.92 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -175.16 79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 9' ' ' VAL . 12.6 p -145.55 61.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -77.05 -63.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.73 96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m 59.28 155.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.53 160.71 29.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.38 49.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . . . 51.85 19.48 5.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -40.73 160.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -87.16 156.59 19.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.06 -32.18 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.22 62.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.17 -38.85 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.556 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 3.7 mtp -52.9 -61.8 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -28.17 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.48 -44.28 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.106 HD12 ' CD2' ' A' ' 62' ' ' TYR . 19.3 mt -66.52 -44.87 90.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -64.21 -39.87 94.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -37.1 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.68 -26.27 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.6 t -92.73 10.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -70.67 -28.65 64.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -139.65 49.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.2 -151.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -157.51 154.39 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -48.34 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -86.34 5.91 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.1 63.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 156.5 43.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 30.2 m-85 -86.31 58.82 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -65.86 168.73 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 p-10 -44.42 -35.77 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' NE2' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -65.02 -48.47 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' ASN . 2.5 tp10 -61.35 -70.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -42.52 -46.33 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.87 -42.54 84.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.8 m120 -65.15 -38.74 91.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 6.1 mt -50.99 -43.82 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.03 -36.02 48.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.05 -17.03 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -64.23 -0.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 69.52 45.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.38 -89.33 1.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HD22 ' A' ' 24' ' ' LEU . 40.8 m-85 -86.2 172.68 10.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 82.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -110.18 -150.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.23 142.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' ALA . 6.9 mmm-85 -33.19 -45.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -55.71 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.571 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -60.35 -42.89 96.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.8 t -62.76 -43.13 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.23 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -45.21 92.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.106 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.8 m-85 -67.5 -41.64 84.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -47.25 -41.4 18.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -37.97 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.9 mtm -67.55 -18.9 65.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -151.56 -67.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' TYR . 18.2 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.401 ' CB ' ' O ' ' A' ' 1' ' ' THR . 0.4 OUTLIER 67.98 135.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -106.05 173.86 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -165.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 134.64 17.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 7' ' ' PHE . 30.2 m -90.02 166.33 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' HG22 ' A' ' 6' ' ' THR . 1.4 t80 -113.78 -179.53 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -103.87 164.5 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG22 ' N ' ' A' ' 10' ' ' ARG . 1.6 p -90.81 -103.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.775 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -177.49 -58.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.92 172.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.2 150.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.647 ' HB2' HD11 ' A' ' 24' ' ' LEU . . . -99.44 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.84 71.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 16' ' ' LEU . . . 77.96 22.13 69.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.046 HD13 HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -44.79 168.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -86.9 158.03 19.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -34.02 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -37.46 58.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.731 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -66.91 -35.51 80.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.701 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -38.86 -40.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.507 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 5.2 mtp -53.82 -54.27 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.23 -26.38 66.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.046 HD12 HD13 ' A' ' 16' ' ' LEU . 2.8 tt -66.44 -43.31 85.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.089 HD12 ' CD2' ' A' ' 62' ' ' TYR . 28.5 mt -68.06 -44.05 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -33.92 76.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.055 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -39.88 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -68.07 -39.2 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.87 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -81.1 -2.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -11.73 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -158.69 52.29 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.611 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -62.12 -156.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.7 162.12 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -68.45 -67.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -74.55 -4.24 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 79.06 25.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' OE1' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.3 m-85 -153.29 51.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.74 169.52 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.6 p-10 -46.21 -33.29 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.6 tp60 -64.76 -56.25 14.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -62.5 -64.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.876 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.92 -47.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.59 -44.18 85.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 42' ' ' GLU . 4.9 m120 -68.55 -24.54 64.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 38' ' ' TYR . 7.4 mt -72.31 -48.44 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.742 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.17 -29.19 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 50' ' ' LYS . 11.2 mttt -56.76 -35.1 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.33 -27.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -129.38 -37.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 104.58 -19.2 42.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 51' ' ' GLY . 44.0 m-85 19.48 -114.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.81 44.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.742 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -108.8 -160.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 161.03 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -32.32 -46.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -61.12 -53.15 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 m -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -56.58 -45.82 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.3 64.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -64.12 -43.57 94.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.089 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.1 m-85 -66.11 -40.43 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -41.8 56.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.26 -39.24 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.457 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 15.3 mtm -67.52 -36.79 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' ILE . 1.6 mp -81.98 -73.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 179.29 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -168.76 171.4 8.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -148.18 139.39 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.41 159.63 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.0 p -92.72 -171.92 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -143.12 174.35 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 6.3 t80 178.71 159.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 10' ' ' ARG . 91.8 t -144.81 -107.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.639 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.1 mtm180 -177.54 -71.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.3 164.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -54.38 -175.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 52' ' ' PHE . . . -41.49 161.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.89 174.85 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -81.46 3.45 78.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.683 ' CD2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -40.16 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p -86.59 160.79 18.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -54.87 -32.43 60.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.25 -36.66 63.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.82 -39.02 87.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -60.01 -39.44 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 13.6 mtp -53.48 -58.28 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -28.19 67.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 2.7 mt -66.32 -42.3 88.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.998 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -65.26 -45.16 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.49 -30.58 71.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -38.78 83.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -65.56 -37.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 43' ' ' ILE . 1.5 t -79.91 -2.2 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.31 -28.97 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.14 51.69 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.34 -157.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -157.84 145.68 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -76.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -7.31 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 33' ' ' ASP . 7.4 mttt -131.92 79.93 66.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.2 Cg_endo -75.05 -160.44 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.774 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.4 m-85 -153.41 53.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -75.31 177.9 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -46.44 -32.89 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.873 ' HG3' HD22 ' A' ' 45' ' ' ASN . 2.0 tp-100 -65.24 -73.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.556 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 3.0 tp10 -41.29 -66.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -43.78 -49.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.35 -43.18 88.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.873 HD22 ' HG3' ' A' ' 41' ' ' GLN . 3.1 m-20 -62.72 -38.86 92.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 48.9 mt -51.0 -44.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -51.35 -35.85 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' LYS . 46.0 tttt -56.9 -18.36 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 3.2 mm-40 -64.38 -0.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' LYS . 4.3 tttt 69.11 45.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.14 -90.58 1.79 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.672 ' HB3' HD21 ' A' ' 21' ' ' LEU . 29.0 m-85 -84.7 162.63 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -97.9 80.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.578 ' CG1' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -116.56 -167.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 174.15 148.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 28.4 mtp180 -32.29 -47.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -54.65 42.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.578 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.33 -43.22 96.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -62.54 -40.88 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.42 91.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.998 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -67.06 -40.36 87.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -41.51 70.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -38.89 77.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 16.1 mtm -67.73 -37.6 82.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 26' ' ' LYS . 7.5 mt -83.07 -71.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -98.16 -56.25 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 175.01 173.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.971 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.04 163.49 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -176.13 170.76 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.3 m -151.07 153.06 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -85.96 145.93 26.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -178.08 -177.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 t 59.61 91.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -154.27 -65.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 12' ' ' SER . 5.5 mm-40 41.87 -151.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER 80.11 -170.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -124.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.39 48.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.44 4.18 43.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.785 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -80.84 154.17 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.739 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -87.15 156.38 19.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.08 -33.21 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.35 52.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -40.57 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.04 -40.53 85.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.574 ' HE3' ' SD ' ' A' ' 65' ' ' MET . 20.3 mtp -54.78 -59.58 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -28.93 68.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 mt -67.06 -44.09 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.114 HD12 ' CD2' ' A' ' 62' ' ' TYR . 17.4 mt -66.57 -46.68 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.596 ' CG ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.94 -22.89 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 5.5 mt-10 -67.06 -39.78 86.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.581 HG21 HD12 ' A' ' 46' ' ' ILE . 1.2 mp -68.02 -25.95 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -91.72 20.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 45.2 mt-10 -68.64 -29.34 67.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -147.42 54.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -62.06 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 4.5 t70 -159.63 146.86 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -67.7 -41.13 84.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -67.0 -51.75 51.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.98 75.65 78.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -74.99 158.34 42.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.7 m-85 -85.78 62.32 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -67.71 -175.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.0 p30 -57.32 -34.75 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.31 -48.82 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.7 tt0 -61.7 -70.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -41.71 -46.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.21 -43.72 83.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.2 m120 -65.9 -31.77 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.581 HD12 HG21 ' A' ' 28' ' ' ILE . 16.3 mt -66.1 -50.47 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.891 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.34 -34.53 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -57.19 -15.25 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 53.6 mt-10 -64.43 16.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.673 ' H ' ' C ' ' A' ' 48' ' ' LYS . 2.2 tttp 68.9 49.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.91 -96.6 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.554 ' HB3' HD21 ' A' ' 21' ' ' LEU . 19.3 m-85 -87.07 160.88 18.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.72 93.48 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.891 HG21 ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -122.66 -149.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 163.85 140.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.8 mmm180 -32.12 -46.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -54.56 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.13 -46.12 90.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.5 t -59.8 -46.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.61 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -63.28 -43.21 98.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.114 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -64.56 -42.59 95.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.5 ttt180 -51.96 -42.11 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.94 -36.86 72.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.574 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 10.5 mtm -67.95 -24.81 65.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.596 HD13 ' CG ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -151.74 -60.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 2' ' ' TYR . 6.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.8 OUTLIER -178.39 146.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER 162.25 105.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -170.94 -164.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 62.85 -173.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.3 m 62.68 86.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -174.53 106.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -179.06 175.2 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 10' ' ' ARG . 88.2 t -144.8 -103.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.543 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -178.89 -84.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -176.32 136.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -179.09 -179.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -147.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.5 47.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.75 5.56 46.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -62.67 149.33 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 8.5 p -90.4 155.34 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -34.32 40.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.62 49.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 mm-40 -59.17 -41.09 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -51.53 -41.32 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.614 ' SD ' HD21 ' A' ' 66' ' ' LEU . 39.2 tpp -55.65 -60.28 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -31.75 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 tt -66.88 -43.97 82.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.81 -44.98 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 2.3 tttt -65.64 -34.29 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.85 -39.85 65.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.544 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 2.1 mt -67.92 -40.38 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -83.12 -2.4 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' LYS . 1.6 tm-20 -48.32 -29.82 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 2.0 p30 -158.8 44.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -40.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -84.56 157.59 21.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -71.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -5.9 47.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 10.6 mtpp -133.12 81.41 56.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.3 Cg_endo -75.0 -158.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 11.7 m-85 -152.59 61.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -171.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 5.7 p-10 -58.7 -34.84 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.2 tp60 -64.23 -50.03 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 2.3 tp10 -63.03 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.606 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -43.83 -46.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.676 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.31 -43.43 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.8 m120 -67.81 -28.65 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 4.2 mt -66.15 -37.81 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.913 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -55.84 -35.83 66.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 50' ' ' LYS . 4.5 mtmt -56.62 -25.71 53.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 3.5 mm-40 -42.33 -27.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -166.96 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 156.8 -66.07 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 2.2 m-30 58.51 12.68 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.06 62.41 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.913 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -129.83 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 159.04 148.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 42.9 mtp180 -33.33 -46.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -53.94 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 62' ' ' TYR . 1.3 m -60.08 -45.44 92.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -59.77 -45.71 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.17 65.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.14 -43.56 94.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.679 ' CD2' HD12 ' A' ' 25' ' ' ILE . 7.9 m-85 -65.23 -41.28 94.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.14 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.61 -34.62 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.614 HD21 ' SD ' ' A' ' 22' ' ' MET . 1.7 mt -83.34 -64.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' CG ' ' N ' ' A' ' 3' ' ' SER . 7.9 p90 -176.11 -41.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 7.4 p -92.25 57.32 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -73.35 -160.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.63 98.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 m 61.82 82.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -110.29 37.48 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.69 163.77 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.5 p -146.17 53.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 41.06 69.7 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.58 142.57 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.11 -153.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB2' ' CA ' ' A' ' 52' ' ' PHE . . . -61.82 -143.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 50.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.78 24.64 0.75 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -54.55 152.49 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -87.76 156.5 19.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -34.61 60.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.82 59.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -67.15 -40.41 86.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -57.46 -40.64 78.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 41.4 tpp -54.79 -65.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 mttt -60.51 -28.28 68.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' HE1' ' A' ' 52' ' ' PHE . 11.4 mt -66.12 -44.33 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 29' ' ' VAL . 6.0 mt -65.56 -43.17 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 ttpm? -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -53.56 -37.44 62.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 46' ' ' ILE . 6.8 mt -67.78 -31.59 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -90.87 17.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.77 -28.77 66.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -148.88 56.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.63 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.08 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -157.92 150.36 22.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.29 -31.4 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.41 -6.56 54.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.88 69.29 1.01 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.01 42.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 51.2 m-85 -85.67 64.5 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 m -71.04 168.32 17.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -42.02 -34.78 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -64.94 -47.35 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.601 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.5 tt0 -62.21 -70.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.619 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.41 -46.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.679 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.41 -43.74 84.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.1 m120 -64.12 -39.11 93.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 HG21 ' A' ' 28' ' ' ILE . 13.9 mt -55.19 -36.17 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.62 -29.92 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 50' ' ' LYS . 10.5 ttpp -56.49 -26.15 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -64.35 3.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.93 50.18 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.578 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -141.9 24.85 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 16' ' ' LEU . 66.9 m-85 -164.71 -58.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HA ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER 72.48 70.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t -110.58 -139.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.868 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 170.96 138.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 ptm180 -33.43 -44.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.63 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -61.25 -40.22 93.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.5 t -63.47 -40.7 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.71 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -63.96 -42.94 97.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.649 ' CG ' HD12 ' A' ' 25' ' ' ILE . 13.1 m-85 -62.61 -39.39 93.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -49.9 -41.88 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.24 -39.03 75.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.47 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 28.8 mtm -67.64 -37.29 82.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.713 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.3 mm? -62.3 -64.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.49 175.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -168.11 126.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.17 170.65 22.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.7 144.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.9 m -154.45 145.28 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.439 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -155.48 170.17 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 3.9 p90 -37.56 140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.739 ' O ' HG13 ' A' ' 9' ' ' VAL . 9.5 p -159.05 83.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 67.58 93.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.8 110.33 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.79 -171.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . -41.59 157.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' LEU . 2.7 tt0 -66.75 -140.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' A' ' 17' ' ' THR . . . -41.28 -22.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.852 ' CD1' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER 32.76 31.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.1 p -66.69 154.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.3 mp0 -41.87 -34.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -76.95 -38.94 29.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.097 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 17' ' ' THR . 2.0 mm-40 -67.38 -44.4 79.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.852 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.96 -39.59 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 4.2 mtp -52.26 -60.26 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -27.73 64.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.3 mt -66.0 -44.88 83.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 62' ' ' TYR . 11.2 mt -68.0 -45.05 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -63.98 -39.97 95.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.33 -36.54 71.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.77 -29.73 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 43' ' ' ILE . 1.4 t -89.81 15.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.17 -28.93 65.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -146.27 54.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.626 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.1 -157.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 10.4 t0 -160.64 150.87 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -40.35 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -78.97 -8.73 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 68.88 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.0 158.89 41.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.626 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 45.5 m-85 -85.91 58.72 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 168.37 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p-10 -48.5 -35.1 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.497 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 1.3 tp60 -66.56 -50.3 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.6 tt0 -64.64 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.838 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.21 -44.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.762 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.11 -45.32 83.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' GLU . 5.1 m120 -67.77 -23.59 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.498 HD13 HG12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -70.3 -34.31 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.98 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.32 -38.22 70.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -41.87 80.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -35.04 79.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -81.83 -56.51 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.44 3.19 30.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 16.4 m-30 -56.56 -168.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -112.48 67.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.98 ' HB ' HD22 ' A' ' 47' ' ' LEU . 1.1 t -113.64 -176.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 173.53 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -38.05 -47.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -46.0 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.6 m -67.85 -43.76 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.12 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.58 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -44.77 92.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.4 m-85 -66.87 -41.81 86.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . 4.4 tpt85 -47.05 -40.8 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -38.34 73.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.415 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 23.7 mtm -67.87 -18.64 64.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -151.71 -67.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -161.87 174.9 12.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 81.3 p -126.33 -173.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 169.38 -170.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER 83.31 161.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -151.75 140.78 21.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 3.1 t80 -67.66 175.1 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 7' ' ' PHE . 49.7 m-85 -159.18 -175.7 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.753 HG22 ' N ' ' A' ' 10' ' ' ARG . 2.0 p -144.63 -104.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.753 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -169.58 -73.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.27 94.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' ALA . 74.8 p -92.64 -171.56 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' SER . . . -56.17 -107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.34 29.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.27 0.82 55.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.786 HD23 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -62.66 153.13 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -87.53 155.41 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -33.08 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.61 -41.66 50.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.11 -40.4 76.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.92 -40.55 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.6 mtp -56.57 -60.62 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -60.28 -26.58 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.536 ' CD1' HD22 ' A' ' 16' ' ' LEU . 1.3 mt -66.3 -43.82 85.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.963 HD12 ' CD2' ' A' ' 62' ' ' TYR . 6.0 mt -67.55 -44.74 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -63.38 -31.04 72.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -39.27 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.696 ' CG2' ' CD1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.74 -42.33 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -77.88 3.23 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.19 -22.01 63.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -156.92 58.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 1.7 pt-20 -62.14 -158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.23 164.22 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.78 -67.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -3.54 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.16 78.31 15.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -160.59 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 2.4 m-85 -153.22 53.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 168.78 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -48.49 -27.73 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.729 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -67.98 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.658 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 tt0 -55.46 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -34.41 -37.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -57.9 -53.89 53.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.658 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -68.67 -12.46 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.629 HD11 ' HE1' ' A' ' 38' ' ' TYR . 5.9 mt -81.56 -47.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.79 -35.57 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -38.58 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.22 -25.04 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -88.04 -48.72 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.6 -2.67 13.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.786 ' CE1' HD23 ' A' ' 16' ' ' LEU . 20.0 m-85 -56.75 159.52 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 81.93 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.732 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -125.97 -158.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 54' ' ' VAL . . . 159.28 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -32.4 -44.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -55.32 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.51 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.4 -48.06 83.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.5 t -57.11 -43.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.09 59.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.963 ' CD2' HD12 ' A' ' 25' ' ' ILE . 6.4 m-85 -65.54 -40.31 92.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -41.02 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.76 79.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.3 mpp? -67.76 -37.55 82.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.1 mm? -82.86 -64.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 1' ' ' THR . 22.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -175.8 -178.94 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.32 177.98 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.22 116.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -173.86 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -148.82 -173.77 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.34 -176.94 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.99 -171.46 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.746 HG22 ' N ' ' A' ' 10' ' ' ARG . 2.1 p -144.6 -105.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.746 ' N ' HG22 ' A' ' 9' ' ' VAL . 1.7 ttt180 76.28 91.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -156.68 158.78 37.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -165.25 -164.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.76 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 13' ' ' ALA . 2.9 tt0 32.27 71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.49 -7.17 5.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.812 HD22 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.44 153.61 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -87.36 157.52 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -34.1 57.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.89 -35.24 58.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 24' ' ' LEU . 10.0 mt-10 -67.08 -40.14 86.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.812 HD22 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.23 -40.97 87.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.884 ' HG3' HD22 ' A' ' 66' ' ' LEU . 27.7 ttm -54.42 -59.25 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -35.02 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD22 ' HE2' ' A' ' 52' ' ' PHE . 12.0 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 66' ' ' LEU . 4.9 mt -67.58 -45.31 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.833 ' HB2' HD13 ' A' ' 66' ' ' LEU . 1.7 tmmm? -63.49 -33.13 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.57 -41.17 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.2 mp -67.98 -41.0 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG12 ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -83.9 7.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -29.62 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -158.82 45.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG2' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -43.17 156.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -84.82 158.8 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -5.67 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 15.9 ttpp -134.34 82.4 46.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.4 Cg_endo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.6 ' O ' HD12 ' A' ' 43' ' ' ILE . 9.2 m-85 -152.5 62.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.8 t -75.13 -172.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.689 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -59.72 -32.72 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.2 tp60 -65.39 -53.66 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 1.7 tm-20 -60.85 -67.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.769 HG22 HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.1 -47.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -54.87 -43.77 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 42' ' ' GLU . 4.1 m120 -67.11 -34.58 77.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.48 -48.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.779 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.09 -27.25 61.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -56.68 -21.04 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 1.8 mt-10 -64.19 0.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 70.41 47.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.62 ' C ' ' CD1' ' A' ' 52' ' ' PHE . . . -121.5 1.22 11.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' HB3' HD21 ' A' ' 21' ' ' LEU . 23.2 m-85 -161.2 -53.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 84.51 86.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.779 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.7 t -124.78 -141.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 176.17 133.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' ALA . 5.1 mtp180 -33.0 -39.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -59.97 -60.07 4.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.626 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.75 -42.89 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.7 t -61.32 -39.34 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.81 -42.14 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -63.65 -43.25 97.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.2 m-85 -63.77 -35.4 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -53.71 -42.4 68.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -70.93 -40.1 72.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.507 ' HB3' ' HE1' ' A' ' 22' ' ' MET . 30.5 mtm -68.4 -23.2 64.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -151.71 65.83 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -101.56 176.06 5.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 80.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.1 pp -165.79 69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -162.85 52.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.4 m -89.68 150.18 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 34.0 p90 -121.04 110.67 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -176.49 140.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 9' ' ' VAL . 60.2 t -144.78 56.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -179.1 82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.14 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t 62.25 161.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HB1' ' HG ' ' A' ' 16' ' ' LEU . . . -155.8 -100.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 13' ' ' ALA . 2.2 tt0 31.42 63.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 145.67 -15.58 1.8 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -43.12 153.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -87.68 156.51 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -54.37 -34.53 61.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.89 -34.94 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 66.7 mt-10 -66.06 -40.55 90.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.48 -39.0 82.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.487 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 17.7 mtp -51.18 -60.73 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -64.32 -28.52 69.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.911 HD22 ' CE2' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -67.1 -42.86 83.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -66.07 -45.62 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.742 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.1 ttmm -65.36 -33.92 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 1.7 mt-10 -57.68 -38.91 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 46' ' ' ILE . 5.2 mt -67.78 -38.1 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.806 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.72 -8.32 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 3.3 tt0 -71.48 -4.89 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -157.11 45.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.48 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -158.45 162.17 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -68.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -4.96 41.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -136.76 80.35 37.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.696 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.8 m-85 -153.43 56.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -75.21 -179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -47.57 -32.36 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.835 ' HG3' HD22 ' A' ' 45' ' ' ASN . 1.5 tp-100 -65.21 -73.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.57 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.7 tt0 -40.81 -68.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.806 HD11 HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -42.58 -49.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.593 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.04 -43.35 86.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.835 HD22 ' HG3' ' A' ' 41' ' ' GLN . 4.2 m-20 -60.96 -39.33 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 28' ' ' ILE . 29.1 mt -56.33 -38.87 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -53.09 -35.65 59.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 50' ' ' LYS . 5.1 ttpt -56.45 -18.21 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.06 -7.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 69.51 46.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' C ' ' CD1' ' A' ' 52' ' ' PHE . . . -151.6 30.22 0.94 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.911 ' CE2' HD22 ' A' ' 24' ' ' LEU . 65.3 m-85 -157.85 -71.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 84.57 54.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t -96.01 -138.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 166.35 138.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -34.29 -44.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -60.59 -55.85 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.685 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -61.64 -40.22 94.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.0 t -64.53 -38.04 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.47 98.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.08 -43.11 99.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.9 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.2 m-85 -65.14 -40.49 94.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -41.41 52.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.07 -37.99 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.487 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 21.0 mtm -67.64 -37.96 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -83.25 -64.1 1.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.53 104.3 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -126.37 164.5 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.4 146.51 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -159.37 98.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.4 m 62.66 94.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 24.2 p90 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 8' ' ' PHE . 38.6 p90 -57.05 118.29 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 10' ' ' ARG . 91.4 t -144.72 -107.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.638 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -172.77 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 39.18 -98.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ARG . 3.0 m -100.58 147.96 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . . . 41.2 -126.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.3 29.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . 76.92 7.99 86.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -38.23 152.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 p -88.28 157.02 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.39 -34.16 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.46 52.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.9 mm-40 -62.17 -37.9 87.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.22 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 9.1 mtp -57.31 -61.49 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.17 -28.11 67.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -66.39 -43.63 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.87 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.21 -45.98 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -33.93 77.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -59.84 -37.02 78.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.626 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -67.17 -31.93 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -86.8 18.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.6 mm-40 -68.73 -28.03 66.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -142.94 55.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -61.67 -144.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 5.0 t70 -157.45 -143.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -155.91 46.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.32 -34.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -149.75 56.84 2.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.95 -174.83 2.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.856 ' O ' HD12 ' A' ' 43' ' ' ILE . 35.0 m-85 -85.2 59.68 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.62 167.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -45.25 -39.93 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.45 -44.09 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 12.9 tt0 -63.92 -70.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -41.13 -44.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.24 -44.7 84.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 22.9 m-80 -68.43 -37.82 80.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.474 HD13 HG12 ' A' ' 28' ' ' ILE . 3.4 mt -52.44 -44.81 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.27 -34.16 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.29 -25.86 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -40.84 -29.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -167.01 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 117.51 89.52 1.39 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -86.73 -0.73 56.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 tptm 84.05 51.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -127.4 -179.64 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.817 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -176.19 151.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.5 mtp85 -33.73 -46.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -53.7 54.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.3 -43.17 96.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -63.86 -46.05 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.8 76.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -63.86 -45.02 91.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.87 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.0 m-85 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -41.02 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.23 -39.35 78.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.45 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.9 mpp? -68.14 -37.35 80.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.7 mm? -83.04 -60.42 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -174.88 161.6 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -172.42 163.08 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.84 170.89 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -179.92 168.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 7' ' ' PHE . 25.4 m -156.14 166.08 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 6' ' ' THR . 27.4 p90 -155.89 127.99 7.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 179.09 155.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 10' ' ' ARG . 89.8 t -144.69 -106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.657 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 175.99 95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.3 151.36 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.97 160.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.39 179.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -80.18 49.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 46.35 22.8 1.06 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD21 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.86 159.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p -86.66 157.03 19.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -32.1 61.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.09 -37.44 63.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.57 -39.35 88.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD22 HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -61.14 -39.57 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.874 ' SD ' HD13 ' A' ' 66' ' ' LEU . 35.0 tpp -51.37 -61.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -61.87 -28.24 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -66.12 -45.01 82.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -68.23 -45.99 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.033 ' HB2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.59 -33.37 75.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.81 -39.81 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 mt -67.72 -38.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.93 -0.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.15 -29.01 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -134.56 48.66 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.25 -156.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.35 157.34 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -63.18 -69.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -5.83 43.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 78.86 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 -159.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.785 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.0 m-85 -153.32 53.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.5 169.4 17.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -42.95 -35.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 5.7 tp60 -60.51 -58.76 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.2 tp10 -59.42 -64.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.785 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -43.43 -49.11 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.48 -39.6 80.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.5 m120 -68.93 -22.15 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 7.2 mt -65.79 -44.98 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.966 HD13 ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -56.16 -36.78 68.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 50' ' ' LYS . 21.1 mttm -56.71 -21.13 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 3.2 mm-40 -64.49 -1.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER 69.35 39.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.65 -18.89 6.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 75.0 m-85 -164.68 168.34 18.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 0.772 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.966 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.4 ttpp -76.61 -105.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.753 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER 62.55 -175.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 175.81 151.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 74.1 mtm180 -33.35 -47.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -61.41 -52.1 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.3 m -60.2 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.03 -46.45 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.68 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -42.56 97.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.681 ' O ' HD23 ' A' ' 66' ' ' LEU . 7.9 m-85 -65.17 -40.62 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -47.37 -40.65 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.12 -40.06 82.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.438 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 31.6 mtm -68.73 -33.08 73.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.033 HD12 ' HB2' ' A' ' 26' ' ' LYS . 1.3 pt? -151.81 97.94 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.74 153.28 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.07 174.81 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 179.53 8.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 5' ' ' ARG . 16.8 ttp-105 -167.21 145.3 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m -154.2 130.11 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 177.97 112.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -175.56 149.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 10' ' ' ARG . 86.1 t -144.73 -106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.656 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -168.38 -87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 61.61 -169.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 p -62.88 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.954 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 51' ' ' GLY . . . -47.76 170.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.4 pt-20 -62.77 169.91 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.43 59.69 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -80.44 151.73 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -87.49 156.46 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -52.22 -34.35 45.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.7 -33.46 60.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -67.9 -39.37 83.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.0 -40.91 90.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.785 ' SD ' HD22 ' A' ' 66' ' ' LEU . 28.4 tpp -54.97 -57.54 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.23 -29.11 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.966 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 6.2 mt -66.76 -44.73 80.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 66' ' ' LEU . 8.3 mt -67.97 -45.1 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.35 -40.37 93.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -53.45 -36.81 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.5 -39.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.9 t -79.35 18.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.8 mm-40 -66.5 -27.86 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -150.68 53.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -157.58 150.77 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -77.24 -50.72 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -74.02 -3.8 31.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 70.3 1.09 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 15.6 m-30 -85.9 61.91 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.44 169.3 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -42.75 -33.17 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -64.54 -46.88 80.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' TYR . 5.9 tp10 -64.33 -69.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.603 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.53 -45.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.15 -44.4 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.7 m120 -67.81 -36.14 79.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 28' ' ' ILE . 13.3 mt -57.67 -44.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.971 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -51.97 -34.71 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' LYS . 16.4 tttm -56.27 -28.23 57.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -39.86 -31.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -167.04 -38.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.858 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 126.7 88.78 0.68 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 1.011 ' O ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -87.0 30.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt 51.25 48.28 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.971 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -122.77 -156.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 16.5 mtp-105 -39.9 -50.68 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -61.66 -37.68 84.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 57' ' ' ARG . 2.1 m -71.85 -52.53 16.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -54.41 -37.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.39 82.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -44.78 90.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.018 ' CD2' HD12 ' A' ' 25' ' ' ILE . 8.6 m-85 -67.24 -40.41 86.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -43.01 -42.38 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.64 -32.94 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' TYR . 1.9 mpp? -67.59 -28.98 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.064 HD11 HG22 ' A' ' 25' ' ' ILE . 2.6 pt? -151.43 -53.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.574 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 94.3 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 1' ' ' THR . 10.6 m-85 -170.08 154.04 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.25 177.16 8.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.46 179.21 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -167.32 -177.75 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 p -146.95 -177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -152.07 112.51 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 178.36 152.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.762 HG22 ' N ' ' A' ' 10' ' ' ARG . 2.0 p -144.65 -104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.762 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 175.98 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -150.76 157.62 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' ALA . 22.7 t -139.16 -142.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.98 -112.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.3 tt0 30.1 70.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.69 -4.14 6.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.73 173.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -86.89 156.68 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.425 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.88 63.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.7 -37.31 84.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -65.06 -39.65 93.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.561 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 2.8 mtp -51.51 -55.72 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -30.58 71.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.4 mt -66.23 -43.51 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.102 HD12 ' CD2' ' A' ' 62' ' ' TYR . 8.0 mt -66.43 -45.03 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.835 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.29 -40.81 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.18 -32.87 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.1 mt -67.65 -42.05 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.788 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -92.27 20.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.15 -29.17 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -141.58 57.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -60.97 -162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.67 160.92 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -30.56 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -76.53 -52.53 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -130.18 77.78 75.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.92 42.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.789 ' O ' HD12 ' A' ' 43' ' ' ILE . 60.2 m-85 -85.98 48.93 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.4 m -66.23 168.88 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -46.78 -33.78 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -66.66 -34.77 78.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -80.1 -71.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -38.73 -50.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.744 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.46 -45.89 87.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.7 m-80 -67.7 -23.09 65.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -65.21 -39.43 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -56.11 -36.46 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' LYS . 1.2 tttp -56.86 -19.65 18.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -61.48 -5.87 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 67.24 43.43 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 52' ' ' PHE . . . -126.66 -1.56 7.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CE1' HD13 ' A' ' 24' ' ' LEU . 57.8 m-85 -164.16 170.03 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.6 61.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 55' ' ' ALA . 1.4 t -97.05 -172.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.987 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.75 154.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -38.1 -45.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -57.67 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.515 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.3 m -60.25 -37.95 81.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 55' ' ' ALA . 6.3 t -65.15 -39.65 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.86 98.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.03 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.102 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.7 m-85 -68.47 -40.21 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -50.22 -42.19 51.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.408 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 2.0 mpp? -68.21 -22.45 64.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -151.82 65.15 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 1' ' ' THR . 7.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -167.43 172.62 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -174.9 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.55 142.01 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -174.54 4.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -144.62 -171.05 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.41 -173.67 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.22 -49.22 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.9 t 57.73 88.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -154.14 -63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 10' ' ' ARG . 4.0 pm0 34.23 -149.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -156.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' GLU . . . -55.68 -104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' ALA . 10.7 tt0 58.09 137.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.236 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.09 10.51 20.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.89 ' HG ' HD22 ' A' ' 21' ' ' LEU . 3.3 tp -40.72 147.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 5.6 p -92.31 156.47 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -61.57 -34.19 75.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.53 -40.9 37.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 13.6 mm-40 -63.55 -43.47 96.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD22 ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -54.25 -43.3 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.641 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 46.0 mmm -56.5 -60.88 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -59.89 -26.29 65.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD12 HD21 ' A' ' 16' ' ' LEU . 3.1 tt -65.95 -45.08 83.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.006 HD12 ' CD2' ' A' ' 62' ' ' TYR . 4.9 mt -68.49 -45.08 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.56 -38.99 93.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.875 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.44 -30.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.79 ' CG2' HD11 ' A' ' 43' ' ' ILE . 3.1 t -90.37 2.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.64 -28.26 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -137.59 51.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.608 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.18 -157.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.48 160.47 26.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -69.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -10.08 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.13 78.87 39.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.728 ' CE1' HD11 ' A' ' 46' ' ' ILE . 2.4 m-85 -152.93 58.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.5 t -74.67 -174.04 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -60.0 -35.6 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.493 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.0 -51.17 63.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.1 tt0 -62.67 -68.77 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.79 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -41.83 -46.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.753 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.16 -43.63 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.9 m120 -68.4 -35.69 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.875 HD12 HG21 ' A' ' 28' ' ' ILE . 4.2 mt -53.9 -44.71 61.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.926 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -49.85 -40.67 43.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.12 -26.24 60.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -64.26 -10.98 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 -44.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.12 28.95 5.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HE1' HD22 ' A' ' 16' ' ' LEU . 41.3 m-85 -56.22 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.47 50.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.926 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -111.24 174.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.48 155.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' ALA . 14.1 mmt85 -34.15 -45.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -54.72 41.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.488 HG21 HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.06 -42.81 95.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.83 -46.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.96 72.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.09 -44.81 91.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.006 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.9 m-85 -66.73 -40.28 88.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -43.43 -41.04 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.55 -37.0 76.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' TYR . 2.1 mpp? -67.57 -38.09 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -83.11 -64.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -95.8 -177.04 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -120.63 -164.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER 62.66 116.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 121.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 7' ' ' PHE . 23.3 m -150.7 165.19 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' N ' HG22 ' A' ' 6' ' ' THR . 0.8 OUTLIER -174.53 146.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -176.15 139.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -91.22 -105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -172.45 -59.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 10.0 tt0 86.98 144.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -177.68 165.71 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.75 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.0 tt0 32.63 65.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.46 6.4 15.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.081 HD21 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.43 175.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -87.48 156.58 19.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -60.24 -34.37 73.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.42 -35.87 55.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.958 ' HB3' HD12 ' A' ' 16' ' ' LEU . 3.1 mm-40 -65.63 -30.87 71.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.081 HD22 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.27 -40.67 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.836 ' HG3' HD21 ' A' ' 66' ' ' LEU . 22.4 ttm -52.96 -56.98 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -65.18 -33.14 75.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.978 HD12 HD13 ' A' ' 16' ' ' LEU . 2.6 tt -66.92 -38.8 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 mt -67.69 -44.13 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.69 -24.87 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 2.5 mt-10 -64.38 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -67.41 -31.55 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -85.52 18.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 4.3 mm-40 -69.99 -28.37 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -152.34 57.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -61.99 -161.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.71 154.47 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.37 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 1.2 ptm85 -82.57 -8.62 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -166.9 70.12 1.02 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.35 42.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HB3' HD12 ' A' ' 43' ' ' ILE . 44.6 m-85 -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -74.69 168.41 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -46.14 -28.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -66.22 -58.4 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.601 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 5.7 tt0 -57.77 -72.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.662 HD12 ' HB3' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -34.08 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -58.17 -57.45 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -70.5 -9.32 56.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.641 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 1.6 mt -81.74 -46.89 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.03 -32.84 66.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -38.14 69.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -32.71 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -83.52 -54.67 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.14 8.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.544 1.153 . . . . 0.0 111.032 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.512 ' HB3' HD21 ' A' ' 21' ' ' LEU . 13.3 m-85 -59.05 138.62 57.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -74.86 84.17 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.74 HG21 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.85 -161.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.88 -43.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.26 -57.22 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.539 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.29 -45.12 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.9 t -58.92 -42.9 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.78 -42.01 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -63.7 -44.07 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 25.6 m-85 -65.82 -38.86 90.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -41.41 93.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.35 -39.03 74.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.453 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.63 -38.36 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 22' ' ' MET . 6.8 mt -83.24 -69.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.556 0.217 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -159.1 103.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -134.11 173.78 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.56 -178.46 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -153.95 171.18 19.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -142.45 -174.87 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -166.01 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 8' ' ' PHE . 52.5 p90 -117.17 123.0 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 9' ' ' VAL . 5.8 p -144.82 75.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -154.53 79.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.65 129.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -169.49 88.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.049 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -66.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 13' ' ' ALA . 4.7 tt0 33.23 58.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.28 -6.08 4.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.632 ' CD2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -42.53 161.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -86.68 156.84 19.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.86 -34.19 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -33.48 59.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -67.87 -41.56 82.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.43 -40.01 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.814 ' HG3' HD11 ' A' ' 66' ' ' LEU . 28.6 ttm -53.37 -57.21 11.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.28 -35.88 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 mt -66.21 -42.86 88.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.692 HG23 HD13 ' A' ' 43' ' ' ILE . 2.8 mt -66.82 -46.23 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 tttt -62.86 -25.98 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.62 -40.39 91.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 mp -67.91 -41.59 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.678 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -79.82 -10.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.5 tt0 -43.37 -30.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -158.99 60.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -60.57 156.98 15.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 4.5 t0 -85.05 161.42 19.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -71.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -8.41 56.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.354 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 8.2 mttt -131.79 83.75 56.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.2 Cg_endo -75.07 -156.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-85 -152.29 59.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -75.19 169.65 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.677 ' HA ' HG12 ' A' ' 59' ' ' VAL . 15.5 p-10 -44.31 -33.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.09 -54.35 31.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -61.1 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.741 HG22 HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -42.65 -47.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -56.82 -42.58 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.7 m120 -65.96 -38.28 88.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' OE1' ' A' ' 42' ' ' GLU . 38.2 mt -61.42 -51.16 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.816 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.36 -30.39 64.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' C ' ' H ' ' A' ' 50' ' ' LYS . 21.7 tttt -56.61 -18.64 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -64.55 7.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 70.15 48.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.79 -87.96 1.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.569 1.168 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.627 ' HB3' HD21 ' A' ' 21' ' ' LEU . 24.4 m-85 -77.73 -40.82 39.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 84.82 85.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.816 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.5 t -125.45 -147.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -178.53 135.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -32.79 -39.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -60.11 -60.39 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.617 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.22 -41.66 93.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -63.16 -40.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.11 -42.05 76.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -63.88 -43.16 96.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 11.1 m-85 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -42.06 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -70.4 -38.71 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.7 mtm -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 22' ' ' MET . 8.5 mp -78.98 -66.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -80.54 103.18 10.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -131.78 170.6 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.951 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 4' ' ' LEU . 1.1 pt? -99.69 175.8 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.09 112.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 6' ' ' THR . 1.8 m -143.25 15.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 6' ' ' THR . 7.5 m-85 -171.48 69.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -174.86 57.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.7 t -144.84 63.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -58.62 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 50.94 91.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -87.12 3.12 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . . . 46.47 -170.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -156.37 -159.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.19 59.09 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.093 HD21 HD22 ' A' ' 21' ' ' LEU . 2.1 pt? -70.37 -169.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 2.6 p -86.8 156.29 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' GLY . 22.0 pt20 -61.54 -34.34 75.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.09 -38.9 59.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.958 ' HB3' HD12 ' A' ' 16' ' ' LEU . 2.3 mm-40 -67.65 -28.46 67.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.093 HD22 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -55.01 -39.76 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.504 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 8.6 mtp -52.74 -62.88 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -61.64 -27.19 68.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.03 -43.0 83.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -61.25 -44.2 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -38.33 75.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.7 -38.95 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -80.48 3.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -28.35 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.8 55.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.19 172.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 1.7 t0 -84.6 165.41 18.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -65.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 1.9 ttp-105 -85.84 17.99 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 12.1 mttt -163.86 75.41 1.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HA ' ' HB2' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.0 159.01 41.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 12.1 m-85 -85.93 62.25 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 m -75.24 169.99 16.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.1 p-10 -38.25 -34.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.87 ' HG3' HD22 ' A' ' 45' ' ' ASN . 1.1 tp-100 -64.98 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.557 ' HA ' ' ND2' ' A' ' 45' ' ' ASN . 3.0 tp10 -43.75 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -42.93 -48.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.15 -39.04 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.87 HD22 ' HG3' ' A' ' 41' ' ' GLN . 6.0 m-20 -67.79 -25.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 22.5 mt -64.6 -42.72 95.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.81 -36.41 69.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.61 -25.45 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -64.6 3.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 7.8 ttpt 69.63 47.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.02 -91.59 2.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -86.65 -176.23 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -115.11 61.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.725 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER -93.5 -150.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.77 142.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -33.14 -47.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -53.25 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.55 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.26 -47.21 86.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.82 -43.68 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.84 71.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -44.48 95.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.952 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.8 m-85 -66.43 -40.5 89.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -41.25 73.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -39.19 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.422 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 16.9 mtm -67.93 -36.42 80.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.55 ' CD2' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -77.44 -69.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -108.87 174.65 5.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -138.2 100.34 4.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -166.09 128.23 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.558 ' N ' HD13 ' A' ' 4' ' ' LEU . 10.0 mtt180 171.82 78.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' ARG . 20.2 p -156.21 125.76 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 176.54 109.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.6 175.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 10' ' ' ARG . 92.9 t -144.66 -107.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.653 ' N ' HG12 ' A' ' 9' ' ' VAL . 5.7 ttt85 -176.72 -69.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -177.64 -167.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.36 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -107.53 -125.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.0 tt0 31.84 79.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.14 -5.52 5.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.37 159.36 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -80.93 156.93 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -55.91 -32.59 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.5 58.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -39.91 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.92 -40.06 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.42 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 32.5 mtp -52.9 -56.01 19.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.35 -30.65 69.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.03 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 1.8 mt -66.68 -45.81 77.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 1.048 HD12 ' CD2' ' A' ' 62' ' ' TYR . 15.4 mt -68.88 -46.67 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.711 ' HB2' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.53 -30.21 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 12.6 mt-10 -67.08 -33.95 76.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.76 -42.7 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.705 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -91.18 12.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 8.3 pt-20 -56.43 -28.17 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' GLU . 13.5 p-10 -146.56 57.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -55.58 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -159.36 169.27 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 2.23 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -149.27 75.41 9.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -159.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.76 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 43' ' ' ILE . 7.2 m-85 -153.3 47.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.88 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.6 p-10 -45.65 -33.61 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 3.1 tp60 -64.12 -56.55 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.1 tp10 -60.5 -67.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -40.99 -48.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.05 -44.67 87.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 3.4 m120 -62.31 -34.15 76.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' HE1' ' A' ' 38' ' ' TYR . 17.2 mt -63.93 -51.02 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.68 -33.2 68.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.0 -18.58 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 8.5 pt-20 -64.48 8.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.609 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 70.35 45.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 52' ' ' PHE . . . -117.73 -17.48 5.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 1.03 ' CZ ' HD22 ' A' ' 24' ' ' LEU . 38.1 m-85 -163.84 158.92 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 0.722 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.64 88.24 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -129.91 -177.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -169.15 146.39 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ALA . 24.7 mtm180 -31.56 -44.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -56.53 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.56 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.27 -44.67 95.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 44' ' ' ALA . 2.5 t -61.35 -43.25 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.35 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -62.45 -45.43 93.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.048 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.6 m-85 -67.3 -42.05 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -41.76 -40.65 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -67.95 -40.69 83.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' TYR . 23.4 mtm -70.2 -38.25 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -156.29 98.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -63.79 178.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.95 170.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 74.56 126.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -168.6 132.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 m 61.0 155.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -179.16 158.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 59.35 149.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.62 16.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' SER . 17.9 ttt85 52.21 64.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 12' ' ' SER . 1.0 OUTLIER 35.53 -95.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 p 86.18 125.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.759 ' HB2' HD11 ' A' ' 24' ' ' LEU . . . 39.27 -127.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 13' ' ' ALA . 72.2 tt0 47.55 101.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.38 3.83 62.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.031 HD13 HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -48.85 163.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -86.6 159.91 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -57.44 -34.37 68.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -41.32 48.77 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.894 ' HB3' HD12 ' A' ' 16' ' ' LEU . 18.2 mt-10 -58.23 -31.01 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.954 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -48.04 -41.35 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 ttm -49.39 -57.44 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.69 -30.63 70.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.031 HD12 HD13 ' A' ' 16' ' ' LEU . 2.2 tt -67.66 -39.93 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.7 mt -67.88 -45.17 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -62.99 -38.02 89.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -58.79 -37.52 76.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.635 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.76 -39.05 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -78.85 4.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -153.17 61.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.644 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.28 -158.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.529 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 2.1 t0 -158.01 151.22 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -77.3 -45.52 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -7.08 53.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -166.79 69.29 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.07 157.98 42.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.749 ' O ' HD12 ' A' ' 43' ' ' ILE . 40.1 m-85 -85.75 64.87 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 9.6 t -70.15 -176.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -59.95 -38.64 83.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.15 -46.7 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.526 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.8 tt0 -64.39 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -41.19 -46.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.73 -45.6 85.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.486 ' OD1' ' NE2' ' A' ' 41' ' ' GLN . 3.8 m120 -69.23 -26.52 64.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.626 HD13 HG12 ' A' ' 28' ' ' ILE . 1.3 mt -63.26 -43.39 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -48.2 -37.54 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.41 -32.14 66.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 32.6 mt-10 -36.26 -35.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 8.8 tptt -156.11 22.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 56.06 65.64 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 13' ' ' ALA . 9.9 m-30 -83.94 31.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.824 ' O ' HD13 ' A' ' 47' ' ' LEU . 17.5 tttp 64.09 -116.86 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER 50.9 -160.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.02 147.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.13 -47.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -54.26 46.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.8 m -60.06 -44.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.1 t -59.27 -43.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.07 92.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -42.7 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.729 ' CD2' HD12 ' A' ' 25' ' ' ILE . 1.2 m-85 -63.42 -41.57 98.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -42.14 33.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -39.92 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.6 mtm -68.21 -38.71 82.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.4 mm? -62.4 -61.94 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.06 -32.18 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.22 62.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.17 -38.85 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.556 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 3.7 mtp -52.9 -61.8 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -28.17 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.48 -44.28 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.106 HD12 ' CD2' ' A' ' 62' ' ' TYR . 19.3 mt -66.52 -44.87 90.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -64.21 -39.87 94.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -37.1 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.68 -26.27 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.6 t -92.73 10.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 2.4 tm-20 -70.67 -28.65 64.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.458 ' ND2' ' OE1' ' A' ' 30' ' ' GLU . 6.7 m-80 -139.65 49.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.2 -151.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -157.51 154.39 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -48.34 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -86.34 5.91 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.1 63.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 156.5 43.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 30.2 m-85 -86.31 58.82 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -65.86 168.73 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 p-10 -44.42 -35.77 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.508 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.3 tp60 -65.02 -48.47 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' ASN . 2.5 tp10 -61.35 -70.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -42.52 -46.33 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.87 -42.54 84.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.508 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.9 m-80 -65.15 -38.74 91.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 6.1 mt -50.99 -43.82 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.03 -36.02 48.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -17.03 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.23 142.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' ALA . 6.9 mmm-85 -33.19 -45.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -55.71 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.571 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -60.35 -42.89 96.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.8 t -62.76 -43.13 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.23 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -45.21 92.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.106 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.8 m-85 -67.5 -41.64 84.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -47.25 -41.4 18.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -37.97 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.9 mtm -67.55 -18.9 65.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -34.02 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -37.46 58.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' OE1' ' CA ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -66.91 -35.51 80.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -38.86 -40.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.507 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 5.2 mtp -53.82 -54.27 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.23 -26.38 66.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.8 tt -66.44 -43.31 85.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.089 HD12 ' CD2' ' A' ' 62' ' ' TYR . 28.5 mt -68.06 -44.05 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -33.92 76.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.055 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -39.88 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -68.07 -39.2 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.87 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -81.1 -2.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -11.73 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -158.69 52.29 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.611 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -62.12 -156.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.7 162.12 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -68.45 -67.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -74.55 -4.24 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 79.06 25.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' OE1' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.3 m-85 -153.29 51.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.74 169.52 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.6 p-10 -46.21 -33.29 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.6 tp60 -64.76 -56.25 14.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -62.5 -64.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.876 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.92 -47.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.59 -44.18 85.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 7.9 m-80 -68.55 -24.54 64.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 38' ' ' TYR . 7.4 mt -72.31 -48.44 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.742 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.17 -29.19 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -56.76 -35.1 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.742 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 161.03 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -32.32 -46.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -61.12 -53.15 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 m -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -56.58 -45.82 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.3 64.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -64.12 -43.57 94.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.089 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.1 m-85 -66.11 -40.43 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -41.8 56.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.26 -39.24 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.457 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 15.3 mtm -67.52 -36.79 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' ILE . 1.6 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -54.87 -32.43 60.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.25 -36.66 63.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.82 -39.02 87.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -39.44 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 13.6 mtp -53.48 -58.28 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -28.19 67.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.32 -42.3 88.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.998 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -65.26 -45.16 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.49 -30.58 71.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -38.78 83.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -65.56 -37.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 43' ' ' ILE . 1.5 t -79.91 -2.2 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.31 -28.97 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.14 51.69 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.34 -157.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -157.84 145.68 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -76.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -7.31 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 33' ' ' ASP . 7.4 mttt -131.92 79.93 66.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.2 Cg_endo -75.05 -160.44 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.774 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.4 m-85 -153.41 53.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -75.31 177.9 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -46.44 -32.89 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.554 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 28.7 tp60 -65.24 -73.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -41.29 -66.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -43.78 -49.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.35 -43.18 88.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.554 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.3 m120 -62.72 -38.86 92.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 48.9 mt -51.0 -44.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -51.35 -35.85 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -56.9 -18.36 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.578 ' CG1' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 174.15 148.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 28.4 mtp180 -32.29 -47.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -54.65 42.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.578 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.33 -43.22 96.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -62.54 -40.88 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.42 91.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.998 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -67.06 -40.36 87.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -41.51 70.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -38.89 77.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 16.1 mtm -67.73 -37.6 82.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 26' ' ' LYS . 7.5 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.08 -33.21 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.35 52.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -40.57 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -40.53 85.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.574 ' HE3' ' SD ' ' A' ' 65' ' ' MET . 20.3 mtp -54.78 -59.58 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -28.93 68.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 mt -67.06 -44.09 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.114 HD12 ' CD2' ' A' ' 62' ' ' TYR . 17.4 mt -66.57 -46.68 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.596 ' CG ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.94 -22.89 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 5.5 mt-10 -67.06 -39.78 86.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.581 HG21 HD12 ' A' ' 46' ' ' ILE . 1.2 mp -68.02 -25.95 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -91.72 20.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 45.2 mt-10 -68.64 -29.34 67.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -147.42 54.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -62.06 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 4.5 t70 -159.63 146.86 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -67.7 -41.13 84.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -67.0 -51.75 51.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.98 75.65 78.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -74.99 158.34 42.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.7 m-85 -85.78 62.32 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -67.71 -175.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.0 p30 -57.32 -34.75 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.515 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.31 -48.82 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.7 tt0 -61.7 -70.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -41.71 -46.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.21 -43.72 83.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -65.9 -31.77 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.581 HD12 HG21 ' A' ' 28' ' ' ILE . 16.3 mt -66.1 -50.47 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.891 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.34 -34.53 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.19 -15.25 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 53.6 mt-10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.891 HG21 ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 163.85 140.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.8 mmm180 -32.12 -46.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -54.56 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.13 -46.12 90.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.5 t -59.8 -46.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.61 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -63.28 -43.21 98.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.114 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -64.56 -42.59 95.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -51.96 -42.11 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.94 -36.86 72.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.574 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 10.5 mtm -67.95 -24.81 65.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.596 HD13 ' CG ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.415 ' OG1' ' CG ' ' A' ' 20' ' ' GLU . 8.5 p . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -34.32 40.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.62 49.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 mm-40 -59.17 -41.09 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -51.53 -41.32 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.614 ' SD ' HD21 ' A' ' 66' ' ' LEU . 39.2 tpp -55.65 -60.28 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -31.75 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 tt -66.88 -43.97 82.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.81 -44.98 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 2.3 tttt -65.64 -34.29 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.85 -39.85 65.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.544 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 2.1 mt -67.92 -40.38 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -83.12 -2.4 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' LYS . 1.6 tm-20 -48.32 -29.82 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 2.0 p30 -158.8 44.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -40.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -84.56 157.59 21.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -71.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -5.9 47.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 10.6 mtpp -133.12 81.41 56.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.3 Cg_endo -75.0 -158.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 11.7 m-85 -152.59 61.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -171.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 5.7 p-10 -58.7 -34.84 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -64.23 -50.03 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 2.3 tp10 -63.03 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.606 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -43.83 -46.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.676 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.31 -43.43 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.511 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 3.6 m-80 -67.81 -28.65 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 4.2 mt -66.15 -37.81 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.913 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -55.84 -35.83 66.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -56.62 -25.71 53.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 3.5 mm-40 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.913 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 159.04 148.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 42.9 mtp180 -33.33 -46.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -53.94 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 62' ' ' TYR . 1.3 m -60.08 -45.44 92.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -59.77 -45.71 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.17 65.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.14 -43.56 94.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.679 ' CD2' HD12 ' A' ' 25' ' ' ILE . 7.9 m-85 -65.23 -41.28 94.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.14 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.61 -34.62 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.614 HD21 ' SD ' ' A' ' 22' ' ' MET . 1.7 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -34.61 60.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.82 59.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -67.15 -40.41 86.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -57.46 -40.64 78.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 41.4 tpp -54.79 -65.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 mttt -60.51 -28.28 68.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 21' ' ' LEU . 11.4 mt -66.12 -44.33 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 29' ' ' VAL . 6.0 mt -65.56 -43.17 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 ttpm? -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -53.56 -37.44 62.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 46' ' ' ILE . 6.8 mt -67.78 -31.59 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -90.87 17.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.77 -28.77 66.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -148.88 56.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.63 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.08 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -157.92 150.36 22.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.29 -31.4 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.41 -6.56 54.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.88 69.29 1.01 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.01 42.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 51.2 m-85 -85.67 64.5 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 m -71.04 168.32 17.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -42.02 -34.78 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.517 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.6 tp60 -64.94 -47.35 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.601 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.5 tt0 -62.21 -70.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.619 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.41 -46.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.679 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.41 -43.74 84.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.517 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -64.12 -39.11 93.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 HG21 ' A' ' 28' ' ' ILE . 13.9 mt -55.19 -36.17 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.62 -29.92 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -56.49 -26.15 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.868 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 170.96 138.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 ptm180 -33.43 -44.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.63 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -61.25 -40.22 93.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.5 t -63.47 -40.7 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.71 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -63.96 -42.94 97.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.649 ' CG ' HD12 ' A' ' 25' ' ' ILE . 13.1 m-85 -62.61 -39.39 93.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -49.9 -41.88 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.24 -39.03 75.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.47 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 28.8 mtm -67.64 -37.29 82.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.713 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.3 mm? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 20' ' ' GLU . 2.1 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.3 mp0 -41.87 -34.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -76.95 -38.94 29.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.097 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 17' ' ' THR . 2.0 mm-40 -67.38 -44.4 79.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -52.96 -39.59 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 4.2 mtp -52.26 -60.26 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -27.73 64.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.3 mt -66.0 -44.88 83.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 62' ' ' TYR . 11.2 mt -68.0 -45.05 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -63.98 -39.97 95.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.33 -36.54 71.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.77 -29.73 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 43' ' ' ILE . 1.4 t -89.81 15.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.17 -28.93 65.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -146.27 54.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.626 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.1 -157.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 10.4 t0 -160.64 150.87 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -40.35 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -78.97 -8.73 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 68.88 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.502 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.0 158.89 41.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.626 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 45.5 m-85 -85.91 58.72 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 168.37 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p-10 -48.5 -35.1 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.505 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.3 tp60 -66.56 -50.3 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.6 tt0 -64.64 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.838 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.21 -44.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.762 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.11 -45.32 83.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.505 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 10.3 m-80 -67.77 -23.59 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.498 HD13 HG12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -70.3 -34.31 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.98 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.32 -38.22 70.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -41.87 80.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.98 ' HB ' HD22 ' A' ' 47' ' ' LEU . 1.1 t . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 173.53 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -38.05 -47.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -46.0 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.6 m -67.85 -43.76 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.12 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.58 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -44.77 92.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.4 m-85 -66.87 -41.81 86.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -47.05 -40.8 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -38.34 73.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.415 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 23.7 mtm -67.87 -18.64 64.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -33.08 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.61 -41.66 50.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.11 -40.4 76.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.92 -40.55 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.6 mtp -56.57 -60.62 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -60.28 -26.58 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.3 -43.82 85.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.963 HD12 ' CD2' ' A' ' 62' ' ' TYR . 6.0 mt -67.55 -44.74 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -63.38 -31.04 72.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -39.27 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.696 ' CG2' ' CD1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.74 -42.33 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -77.88 3.23 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.19 -22.01 63.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -156.92 58.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 1.7 pt-20 -62.14 -158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.23 164.22 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.78 -67.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -3.54 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.16 78.31 15.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -160.59 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 2.4 m-85 -153.22 53.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 168.78 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -48.49 -27.73 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.729 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 12.9 tp60 -67.98 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.658 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 tt0 -55.46 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -34.41 -37.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -57.9 -53.89 53.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.658 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -68.67 -12.46 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.629 HD11 ' HE1' ' A' ' 38' ' ' TYR . 5.9 mt -81.56 -47.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.79 -35.57 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -38.58 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.732 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 54' ' ' VAL . . . 159.28 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -32.4 -44.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -55.32 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.51 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.4 -48.06 83.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.5 t -57.11 -43.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.09 59.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.963 ' CD2' HD12 ' A' ' 25' ' ' ILE . 6.4 m-85 -65.54 -40.31 92.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -41.02 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.76 79.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.3 mpp? -67.76 -37.55 82.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.1 mm? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -34.1 57.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.89 -35.24 58.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 24' ' ' LEU . 10.0 mt-10 -67.08 -40.14 86.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -59.23 -40.97 87.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.884 ' HG3' HD22 ' A' ' 66' ' ' LEU . 27.7 ttm -54.42 -59.25 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -35.02 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.0 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 66' ' ' LEU . 4.9 mt -67.58 -45.31 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.833 ' HB2' HD13 ' A' ' 66' ' ' LEU . 1.7 tmmm? -63.49 -33.13 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.57 -41.17 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.2 mp -67.98 -41.0 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.618 HG12 ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -83.9 7.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -29.62 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -158.82 45.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG2' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -43.17 156.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -84.82 158.8 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -5.67 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 15.9 ttpp -134.34 82.4 46.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.4 Cg_endo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.6 ' O ' HD12 ' A' ' 43' ' ' ILE . 9.2 m-85 -152.5 62.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.8 t -75.13 -172.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.689 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -59.72 -32.72 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.39 -53.66 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 1.7 tm-20 -60.85 -67.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.769 HG22 HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.1 -47.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -54.87 -43.77 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.4 m-80 -67.11 -34.58 77.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.48 -48.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.779 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.09 -27.25 61.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -21.04 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.779 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.7 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 176.17 133.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' ALA . 5.1 mtp180 -33.0 -39.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -59.97 -60.07 4.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.626 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.75 -42.89 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.7 t -61.32 -39.34 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.81 -42.14 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -63.65 -43.25 97.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.2 m-85 -63.77 -35.4 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -42.4 68.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -70.93 -40.1 72.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.507 ' HB3' ' HE1' ' A' ' 22' ' ' MET . 30.5 mtm -68.4 -23.2 64.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.412 ' HG1' ' CD ' ' A' ' 20' ' ' GLU . 7.3 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -54.37 -34.53 61.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.89 -34.94 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 66.7 mt-10 -66.06 -40.55 90.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -59.48 -39.0 82.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.487 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 17.7 mtp -51.18 -60.73 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -64.32 -28.52 69.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -67.1 -42.86 83.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -66.07 -45.62 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.742 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.1 ttmm -65.36 -33.92 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 1.7 mt-10 -57.68 -38.91 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 46' ' ' ILE . 5.2 mt -67.78 -38.1 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.806 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.72 -8.32 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 3.3 tt0 -71.48 -4.89 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -157.11 45.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.48 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -158.45 162.17 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -68.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -4.96 41.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -136.76 80.35 37.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.696 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.8 m-85 -153.43 56.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -75.21 -179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -47.57 -32.36 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.57 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 24.9 tp60 -65.21 -73.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.57 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.7 tt0 -40.81 -68.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.806 HD11 HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -42.58 -49.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.593 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.04 -43.35 86.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.6 m120 -60.96 -39.33 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 28' ' ' ILE . 29.1 mt -56.33 -38.87 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -53.09 -35.65 59.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -56.45 -18.21 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 166.35 138.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -34.29 -44.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -60.59 -55.85 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.685 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -61.64 -40.22 94.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.0 t -64.53 -38.04 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.47 98.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.08 -43.11 99.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.9 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.2 m-85 -65.14 -40.49 94.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -41.41 52.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.07 -37.99 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.487 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 21.0 mtm -67.64 -37.96 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.39 -34.16 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.46 52.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.9 mm-40 -62.17 -37.9 87.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD21 HG22 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -63.22 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 9.1 mtp -57.31 -61.49 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.17 -28.11 67.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -66.39 -43.63 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.87 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.21 -45.98 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -33.93 77.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -59.84 -37.02 78.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.626 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -67.17 -31.93 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -86.8 18.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.6 mm-40 -68.73 -28.03 66.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -142.94 55.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -61.67 -144.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 5.0 t70 -157.45 -143.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -155.91 46.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.32 -34.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -149.75 56.84 2.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.95 -174.83 2.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.856 ' O ' HD12 ' A' ' 43' ' ' ILE . 35.0 m-85 -85.2 59.68 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.62 167.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -45.25 -39.93 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.45 -44.09 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.604 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 12.9 tt0 -63.92 -70.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -41.13 -44.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.24 -44.7 84.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 22.9 m-80 -68.43 -37.82 80.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.474 HD13 HG12 ' A' ' 28' ' ' ILE . 3.4 mt -52.44 -44.81 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.27 -34.16 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -25.86 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.817 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -176.19 151.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.5 mtp85 -33.73 -46.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -53.7 54.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.3 -43.17 96.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -63.86 -46.05 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.8 76.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -63.86 -45.02 91.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.87 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.0 m-85 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -41.02 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.23 -39.35 78.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.45 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.9 mpp? -68.14 -37.35 80.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.7 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -32.1 61.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.09 -37.44 63.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.57 -39.35 88.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -61.14 -39.57 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.874 ' SD ' HD13 ' A' ' 66' ' ' LEU . 35.0 tpp -51.37 -61.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -61.87 -28.24 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -66.12 -45.01 82.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -68.23 -45.99 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.033 ' HB2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.59 -33.37 75.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.81 -39.81 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 mt -67.72 -38.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.93 -0.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.15 -29.01 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -134.56 48.66 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.25 -156.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.35 157.34 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -63.18 -69.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -5.83 43.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 78.86 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 -159.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.785 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.0 m-85 -153.32 53.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.5 169.4 17.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -42.95 -35.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 5.7 tp60 -60.51 -58.76 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.2 tp10 -59.42 -64.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.785 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -43.43 -49.11 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.48 -39.6 80.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.3 m-80 -68.93 -22.15 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 7.2 mt -65.79 -44.98 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.753 HD22 ' HB ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -56.16 -36.78 68.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 21.1 mttm -56.71 -21.13 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.753 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 175.81 151.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 74.1 mtm180 -33.35 -47.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -61.41 -52.1 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.3 m -60.2 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.03 -46.45 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.68 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -42.56 97.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.681 ' O ' HD23 ' A' ' 66' ' ' LEU . 7.9 m-85 -65.17 -40.62 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -47.37 -40.65 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.12 -40.06 82.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.438 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 31.6 mtm -68.73 -33.08 73.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.033 HD12 ' HB2' ' A' ' 26' ' ' LYS . 1.3 pt? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.249 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -52.22 -34.35 45.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.7 -33.46 60.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -67.9 -39.37 83.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' OH ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.0 -40.91 90.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.785 ' SD ' HD22 ' A' ' 66' ' ' LEU . 28.4 tpp -54.97 -57.54 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.23 -29.11 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.487 ' O ' HD12 ' A' ' 28' ' ' ILE . 6.2 mt -66.76 -44.73 80.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 66' ' ' LEU . 8.3 mt -67.97 -45.1 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.35 -40.37 93.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -53.45 -36.81 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.5 -39.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.9 t -79.35 18.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.8 mm-40 -66.5 -27.86 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -150.68 53.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -157.58 150.77 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -77.24 -50.72 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -74.02 -3.8 31.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 70.3 1.09 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.503 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 15.6 m-30 -85.9 61.91 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.44 169.3 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -42.75 -33.17 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.2 tp60 -64.54 -46.88 80.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' TYR . 5.9 tp10 -64.33 -69.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.603 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.53 -45.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.15 -44.4 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.2 m-80 -67.81 -36.14 79.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 28' ' ' ILE . 13.3 mt -57.67 -44.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.971 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -51.97 -34.71 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -56.27 -28.23 57.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.971 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 16.5 mtp-105 -39.9 -50.68 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -61.66 -37.68 84.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 57' ' ' ARG . 2.1 m -71.85 -52.53 16.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -54.41 -37.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.39 82.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -44.78 90.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.018 ' CD2' HD12 ' A' ' 25' ' ' ILE . 8.6 m-85 -67.24 -40.41 86.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.01 -42.38 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.64 -32.94 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' TYR . 1.9 mpp? -67.59 -28.98 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.064 HD11 HG22 ' A' ' 25' ' ' ILE . 2.6 pt? . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.88 63.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.7 -37.31 84.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -65.06 -39.65 93.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.561 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 2.8 mtp -51.51 -55.72 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -30.58 71.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.4 mt -66.23 -43.51 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.102 HD12 ' CD2' ' A' ' 62' ' ' TYR . 8.0 mt -66.43 -45.03 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.835 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.29 -40.81 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.18 -32.87 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.1 mt -67.65 -42.05 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.788 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -92.27 20.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.15 -29.17 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -141.58 57.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -60.97 -162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.67 160.92 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -30.56 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -76.53 -52.53 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -130.18 77.78 75.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.92 42.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.789 ' O ' HD12 ' A' ' 43' ' ' ILE . 60.2 m-85 -85.98 48.93 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.4 m -66.23 168.88 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -46.78 -33.78 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.53 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -66.66 -34.77 78.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -80.1 -71.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -38.73 -50.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.744 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.46 -45.89 87.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.7 m-80 -67.7 -23.09 65.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -65.21 -39.43 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -56.11 -36.46 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 1.2 tttp -56.86 -19.65 18.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 55' ' ' ALA . 1.4 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.987 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.75 154.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -38.1 -45.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -57.67 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.515 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.3 m -60.25 -37.95 81.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 55' ' ' ALA . 6.3 t -65.15 -39.65 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.86 98.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.03 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.102 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.7 m-85 -68.47 -40.21 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.22 -42.19 51.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.408 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 2.0 mpp? -68.21 -22.45 64.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 5.6 p . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -61.57 -34.19 75.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.53 -40.9 37.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 13.6 mm-40 -63.55 -43.47 96.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HA ' HD13 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -54.25 -43.3 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.641 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 46.0 mmm -56.5 -60.88 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -59.89 -26.29 65.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 28' ' ' ILE . 3.1 tt -65.95 -45.08 83.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.006 HD12 ' CD2' ' A' ' 62' ' ' TYR . 4.9 mt -68.49 -45.08 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.56 -38.99 93.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.875 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.44 -30.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.79 ' CG2' HD11 ' A' ' 43' ' ' ILE . 3.1 t -90.37 2.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.64 -28.26 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -137.59 51.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.608 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.18 -157.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.48 160.47 26.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -69.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -10.08 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.13 78.87 39.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.728 ' CE1' HD11 ' A' ' 46' ' ' ILE . 2.4 m-85 -152.93 58.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.5 t -74.67 -174.04 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -60.0 -35.6 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.1 tp60 -65.0 -51.17 63.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.1 tt0 -62.67 -68.77 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.79 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -41.83 -46.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.753 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.16 -43.63 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.51 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.8 m-80 -68.4 -35.69 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.875 HD12 HG21 ' A' ' 28' ' ' ILE . 4.2 mt -53.9 -44.71 61.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.926 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -49.85 -40.67 43.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.12 -26.24 60.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.926 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.48 155.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' ALA . 14.1 mmt85 -34.15 -45.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -54.72 41.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.488 HG21 HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.06 -42.81 95.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.83 -46.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.96 72.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.09 -44.81 91.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.006 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.9 m-85 -66.73 -40.28 88.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -43.43 -41.04 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.55 -37.0 76.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' TYR . 2.1 mpp? -67.57 -38.09 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 62' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -60.24 -34.37 73.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.42 -35.87 55.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -65.63 -30.87 71.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.3 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -50.27 -40.67 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.836 ' HG3' HD21 ' A' ' 66' ' ' LEU . 22.4 ttm -52.96 -56.98 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -65.18 -33.14 75.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.6 tt -66.92 -38.8 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 mt -67.69 -44.13 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.69 -24.87 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 2.5 mt-10 -64.38 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -67.41 -31.55 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -85.52 18.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 4.3 mm-40 -69.99 -28.37 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -152.34 57.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -61.99 -161.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.71 154.47 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.37 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 1.2 ptm85 -82.57 -8.62 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -166.9 70.12 1.02 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.35 42.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HB3' HD12 ' A' ' 43' ' ' ILE . 44.6 m-85 -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -74.69 168.41 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -46.14 -28.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 10.9 tp60 -66.22 -58.4 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.601 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 5.7 tt0 -57.77 -72.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.662 HD12 ' HB3' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -34.08 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -58.17 -57.45 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -70.5 -9.32 56.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.641 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 1.6 mt -81.74 -46.89 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.03 -32.84 66.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -38.14 69.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.74 HG21 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.88 -43.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.26 -57.22 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.539 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.29 -45.12 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.9 t -58.92 -42.9 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.78 -42.01 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -63.7 -44.07 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 25.6 m-85 -65.82 -38.86 90.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -41.41 93.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.35 -39.03 74.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.453 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.63 -38.36 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 22' ' ' MET . 6.8 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.86 -34.19 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -33.48 59.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -67.87 -41.56 82.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.511 ' HA ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.43 -40.01 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.814 ' HG3' HD11 ' A' ' 66' ' ' LEU . 28.6 ttm -53.37 -57.21 11.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.28 -35.88 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 21' ' ' LEU . 15.2 mt -66.21 -42.86 88.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.692 HG23 HD13 ' A' ' 43' ' ' ILE . 2.8 mt -66.82 -46.23 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 tttt -62.86 -25.98 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.62 -40.39 91.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 mp -67.91 -41.59 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.678 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -79.82 -10.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.5 tt0 -43.37 -30.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 1.7 m120 -158.99 60.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -60.57 156.98 15.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 4.5 t0 -85.05 161.42 19.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -71.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -8.41 56.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.354 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 8.2 mttt -131.79 83.75 56.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.2 Cg_endo -75.07 -156.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-85 -152.29 59.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -75.19 169.65 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.677 ' HA ' HG12 ' A' ' 59' ' ' VAL . 15.5 p-10 -44.31 -33.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.09 -54.35 31.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -61.1 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.741 HG22 HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -42.65 -47.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -56.82 -42.58 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.9 m-80 -65.96 -38.28 88.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' OE1' ' A' ' 42' ' ' GLU . 38.2 mt -61.42 -51.16 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.816 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.36 -30.39 64.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -56.61 -18.64 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.816 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -178.53 135.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -32.79 -39.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -60.11 -60.39 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.617 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.22 -41.66 93.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -63.16 -40.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.11 -42.05 76.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -63.88 -43.16 96.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 11.1 m-85 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -42.06 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -70.4 -38.71 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.7 mtm -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 22' ' ' MET . 8.5 mp . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' GLY . 22.0 pt20 -61.54 -34.34 75.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.09 -38.9 59.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HB2' ' OG1' ' A' ' 17' ' ' THR . 2.3 mm-40 -67.65 -28.46 67.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -39.76 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.504 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 8.6 mtp -52.74 -62.88 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -61.64 -27.19 68.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.03 -43.0 83.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -61.25 -44.2 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -38.33 75.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.7 -38.95 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -80.48 3.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -28.35 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.8 55.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.19 172.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 1.7 t0 -84.6 165.41 18.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -65.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 1.9 ttp-105 -85.84 17.99 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 12.1 mttt -163.86 75.41 1.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HA ' ' HB2' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.0 159.01 41.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 12.1 m-85 -85.93 62.25 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 m -75.24 169.99 16.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.1 p-10 -38.25 -34.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 20.2 tp60 -64.98 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -43.75 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -42.93 -48.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.15 -39.04 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.2 m120 -67.79 -25.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 22.5 mt -64.6 -42.72 95.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.81 -36.41 69.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 45' ' ' ASN . 0.4 OUTLIER -56.61 -25.45 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.725 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.77 142.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -33.14 -47.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -53.25 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.55 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.26 -47.21 86.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.82 -43.68 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.84 71.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -44.48 95.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.952 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.8 m-85 -66.43 -40.5 89.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -41.25 73.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -39.19 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.422 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 16.9 mtm -67.93 -36.42 80.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.55 ' CD2' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -55.91 -32.59 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.5 58.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -39.91 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.06 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.42 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 32.5 mtp -52.9 -56.01 19.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.35 -30.65 69.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.661 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.8 mt -66.68 -45.81 77.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 1.048 HD12 ' CD2' ' A' ' 62' ' ' TYR . 15.4 mt -68.88 -46.67 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.711 ' HB2' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.53 -30.21 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 12.6 mt-10 -67.08 -33.95 76.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.76 -42.7 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.705 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -91.18 12.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 8.3 pt-20 -56.43 -28.17 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' GLU . 13.5 p-10 -146.56 57.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -55.58 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -159.36 169.27 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 2.23 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -149.27 75.41 9.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -159.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.76 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 43' ' ' ILE . 7.2 m-85 -153.3 47.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.88 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.538 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.6 p-10 -45.65 -33.61 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 3.1 tp60 -64.12 -56.55 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.1 tp10 -60.5 -67.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -40.99 -48.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.05 -44.67 87.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.3 m-80 -62.31 -34.15 76.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' HE1' ' A' ' 38' ' ' TYR . 17.2 mt -63.93 -51.02 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.62 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.68 -33.2 68.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -18.58 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -169.15 146.39 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ALA . 24.7 mtm180 -31.56 -44.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -56.53 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.56 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.27 -44.67 95.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 44' ' ' ALA . 2.5 t -61.35 -43.25 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.35 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -62.45 -45.43 93.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.048 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.6 m-85 -67.3 -42.05 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -41.76 -40.65 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -67.95 -40.69 83.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' TYR . 23.4 mtm -70.2 -38.25 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -57.44 -34.37 68.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -41.32 48.77 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -58.23 -31.01 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.615 ' HG ' HG22 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -48.04 -41.35 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 ttm -49.39 -57.44 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.69 -30.63 70.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 24' ' ' LEU . 2.2 tt -67.66 -39.93 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.7 mt -67.88 -45.17 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -62.99 -38.02 89.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -58.79 -37.52 76.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.635 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.76 -39.05 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -78.85 4.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -153.17 61.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.644 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.28 -158.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.529 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 2.1 t0 -158.01 151.22 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -77.3 -45.52 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -7.08 53.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -166.79 69.29 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.07 157.98 42.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.749 ' O ' HD12 ' A' ' 43' ' ' ILE . 40.1 m-85 -85.75 64.87 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 9.6 t -70.15 -176.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -59.95 -38.64 83.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -66.15 -46.7 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.526 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.8 tt0 -64.39 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -41.19 -46.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.645 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.73 -45.6 85.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.514 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 6.6 m-80 -69.23 -26.52 64.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.626 HD13 HG12 ' A' ' 28' ' ' ILE . 1.3 mt -63.26 -43.39 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.707 HD22 ' HB ' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -48.2 -37.54 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.41 -32.14 66.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 32.6 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.02 147.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.13 -47.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -54.26 46.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.8 m -60.06 -44.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.1 t -59.27 -43.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.07 92.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -42.7 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.729 ' CD2' HD12 ' A' ' 25' ' ' ILE . 1.2 m-85 -63.42 -41.57 98.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -42.14 33.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -39.92 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.6 mtm -68.21 -38.71 82.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 1' ' ' THR . 15.3 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.428 ' CG ' ' N ' ' A' ' 3' ' ' SER . 27.3 p90 -179.02 -43.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.428 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER -62.26 146.07 51.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.07 160.62 2.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 5' ' ' ARG . 10.6 mtp-105 56.89 170.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.095 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.1 p -82.39 -173.57 4.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -127.86 105.92 8.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -175.16 79.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 9' ' ' VAL . 12.6 p -145.55 61.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.7 mmm-85 -77.05 -63.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.73 96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m 59.28 155.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.53 160.71 29.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -80.38 49.04 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 16' ' ' LEU . . . 51.85 19.48 5.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -40.73 160.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 p -87.16 156.59 19.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.06 -32.18 53.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.45 -37.22 62.63 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.17 -38.85 89.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -63.46 -39.35 94.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.556 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 3.7 mtp -52.9 -61.8 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -28.17 65.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -66.48 -44.28 83.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.106 HD12 ' CD2' ' A' ' 62' ' ' TYR . 19.3 mt -66.52 -44.87 90.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.525 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -64.21 -39.87 94.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.71 -37.1 72.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.836 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -67.68 -26.27 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.6 t -92.73 10.68 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 2.4 tm-20 -70.67 -28.65 64.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.458 ' ND2' ' OE1' ' A' ' 30' ' ' GLU . 6.7 m-80 -139.65 49.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.639 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.2 -151.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -157.51 154.39 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -48.34 17.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -86.34 5.91 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -167.1 63.81 0.72 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.99 156.5 43.05 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' HA ' ' A' ' 32' ' ' GLU . 30.2 m-85 -86.31 58.82 5.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.5 m -65.86 168.73 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 p-10 -44.42 -35.77 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.508 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.3 tp60 -65.02 -48.47 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.228 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 45' ' ' ASN . 2.5 tp10 -61.35 -70.65 0.18 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.138 . . . . 0.0 110.344 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.801 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -42.52 -46.33 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.87 -42.54 84.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.508 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.9 m-80 -65.15 -38.74 91.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 6.1 mt -50.99 -43.82 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -52.03 -36.02 48.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.05 -17.03 8.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.3 OUTLIER -64.23 -0.02 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.278 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER 69.52 45.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.38 -89.33 1.59 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.651 ' CZ ' HD22 ' A' ' 24' ' ' LEU . 40.8 m-85 -86.2 172.68 10.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 111.009 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.62 82.36 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -110.18 -150.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.23 142.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 55' ' ' ALA . 6.9 mmm-85 -33.19 -45.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -55.71 29.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.571 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -60.35 -42.89 96.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.8 t -62.76 -43.13 98.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -42.23 74.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -45.21 92.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.106 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.8 m-85 -67.5 -41.64 84.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.4 OUTLIER -47.25 -41.4 18.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -37.97 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.9 mtm -67.55 -18.9 65.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.556 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -151.56 -67.67 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 2' ' ' TYR . 18.2 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.401 ' CB ' ' O ' ' A' ' 1' ' ' THR . 0.4 OUTLIER 67.98 135.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -106.05 173.86 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -165.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.46 134.64 17.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 7' ' ' PHE . 30.2 m -90.02 166.33 13.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.405 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' N ' HG22 ' A' ' 6' ' ' THR . 1.4 t80 -113.78 -179.53 3.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -103.87 164.5 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.775 HG22 ' N ' ' A' ' 10' ' ' ARG . 1.6 p -90.81 -103.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.775 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -177.49 -58.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 75.92 172.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.2 150.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.647 ' HB2' HD11 ' A' ' 24' ' ' LEU . . . -99.44 163.16 12.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.84 71.64 0.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 16' ' ' LEU . . . 77.96 22.13 69.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.046 HD13 HD12 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -44.79 168.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -86.9 158.03 19.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -34.02 68.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.48 -37.46 58.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.731 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -66.91 -35.51 80.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 0.742 . . . . 0.0 110.286 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.701 ' HA ' HD11 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -38.86 -40.77 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.507 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 5.2 mtp -53.82 -54.27 40.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.979 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.23 -26.38 66.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.224 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.046 HD12 HD13 ' A' ' 16' ' ' LEU . 2.8 tt -66.44 -43.31 85.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.089 HD12 ' CD2' ' A' ' 62' ' ' TYR . 28.5 mt -68.06 -44.05 84.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.41 -33.92 76.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.055 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -55.16 -39.88 70.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.624 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -68.07 -39.2 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.87 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -81.1 -2.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 -11.73 61.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -158.69 52.29 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.611 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -62.12 -156.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.329 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -158.7 162.12 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -68.45 -67.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -74.55 -4.24 35.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.272 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.44 79.06 25.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.404 ' O ' ' OE1' ' A' ' 42' ' ' GLU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.659 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.3 m-85 -153.29 51.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.74 169.52 14.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.6 p-10 -46.21 -33.29 3.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.6 tp60 -64.76 -56.25 14.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.592 ' OE1' ' CD1' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -62.5 -64.87 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.876 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.92 -47.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.59 -44.18 85.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 7.9 m-80 -68.55 -24.54 64.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.653 HD11 ' HE1' ' A' ' 38' ' ' TYR . 7.4 mt -72.31 -48.44 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.742 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.17 -29.19 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.454 ' C ' ' N ' ' A' ' 50' ' ' LYS . 11.2 mttt -56.76 -35.1 68.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -40.33 -27.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -129.38 -37.32 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' O ' ' C ' ' A' ' 52' ' ' PHE . . . 104.58 -19.2 42.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.592 ' C ' ' O ' ' A' ' 51' ' ' GLY . 44.0 m-85 19.48 -114.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.81 44.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.742 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -108.8 -160.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 161.03 146.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -32.32 -46.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -61.12 -53.15 60.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.2 m -60.09 -49.32 78.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.409 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -56.58 -45.82 82.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.17 -43.3 64.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -64.12 -43.57 94.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.089 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.1 m-85 -66.11 -40.43 90.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -41.8 56.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.26 -39.24 75.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.457 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 15.3 mtm -67.52 -36.79 81.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.672 ' CD2' HG22 ' A' ' 25' ' ' ILE . 1.6 mp -81.98 -73.65 0.38 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 179.29 -63.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.1 p -168.76 171.4 8.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -148.18 139.39 23.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.41 159.63 18.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.0 p -92.72 -171.92 2.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -143.12 174.35 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' ' 9' ' ' VAL . 6.3 t80 178.71 159.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 10' ' ' ARG . 91.8 t -144.81 -107.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.639 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.1 mtm180 -177.54 -71.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.3 164.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.7 m -54.38 -175.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 52' ' ' PHE . . . -41.49 161.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.89 174.85 0.23 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -81.46 3.45 78.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.683 ' CD2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -40.16 153.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.323 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p -86.59 160.79 18.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -54.87 -32.43 60.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.25 -36.66 63.56 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -66.82 -39.02 87.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 0.0 110.297 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.683 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -60.01 -39.44 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.56 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 13.6 mtp -53.48 -58.28 7.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -28.19 67.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 2.7 mt -66.32 -42.3 88.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.998 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -65.26 -45.16 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.49 -30.58 71.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -38.78 83.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.614 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -65.56 -37.42 79.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.747 HG22 HD11 ' A' ' 43' ' ' ILE . 1.5 t -79.91 -2.2 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -71.31 -28.97 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -136.14 51.69 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.625 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.34 -157.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.461 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -157.84 145.68 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 -76.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -7.31 34.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' CB ' ' HB3' ' A' ' 33' ' ' ASP . 7.4 mttt -131.92 79.93 66.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.2 Cg_endo -75.05 -160.44 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.774 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.4 m-85 -153.41 53.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 m -75.31 177.9 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.551 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.5 OUTLIER -46.44 -32.89 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.554 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 28.7 tp60 -65.24 -73.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -41.29 -66.33 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.774 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -43.78 -49.49 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.69 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.35 -43.18 88.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.554 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.3 m120 -62.72 -38.86 92.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 48.9 mt -51.0 -44.82 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -51.35 -35.85 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' LYS . 46.0 tttt -56.9 -18.36 12.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 3.2 mm-40 -64.38 -0.64 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' LYS . 4.3 tttt 69.11 45.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.14 -90.58 1.79 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.672 ' HB3' HD21 ' A' ' 21' ' ' LEU . 29.0 m-85 -84.7 162.63 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 111.065 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -97.9 80.47 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.578 ' CG1' HG22 ' A' ' 58' ' ' THR . 0.2 OUTLIER -116.56 -167.47 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 174.15 148.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' C ' ' O ' ' A' ' 55' ' ' ALA . 28.4 mtp180 -32.29 -47.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -54.65 42.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.578 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.33 -43.22 96.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -62.54 -40.88 89.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.42 91.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -44.95 94.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.998 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -67.06 -40.36 87.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.84 -41.51 70.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.288 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -38.89 77.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.444 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 16.1 mtm -67.73 -37.6 82.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 26' ' ' LYS . 7.5 mt -83.07 -71.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -98.16 -56.25 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 175.01 173.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.971 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.04 163.49 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -176.13 170.76 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.3 m -151.07 153.06 34.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -85.96 145.93 26.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -178.08 -177.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.9 t 59.61 91.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -154.27 -65.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 12' ' ' SER . 5.5 mm-40 41.87 -151.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER 80.11 -170.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.979 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.02 -124.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.39 48.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 69.44 4.18 43.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.561 1.163 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.785 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -80.84 154.17 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 0.739 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.9 p -87.15 156.38 19.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.563 1.165 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -51.08 -33.21 24.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.42 -41.35 52.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.464 1.103 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.33 -40.57 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.04 -40.53 85.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.574 ' HE3' ' SD ' ' A' ' 65' ' ' MET . 20.3 mtp -54.78 -59.58 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -28.93 68.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 mt -67.06 -44.09 81.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.26 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.114 HD12 ' CD2' ' A' ' 62' ' ' TYR . 17.4 mt -66.57 -46.68 85.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.596 ' CG ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -64.94 -22.89 67.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 5.5 mt-10 -67.06 -39.78 86.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.581 HG21 HD12 ' A' ' 46' ' ' ILE . 1.2 mp -68.02 -25.95 33.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -91.72 20.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 27' ' ' GLU . 45.2 mt-10 -68.64 -29.34 67.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -147.42 54.0 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -62.06 -157.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 37' ' ' PRO . 4.5 t70 -159.63 146.86 16.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -67.7 -41.13 84.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -67.0 -51.75 51.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.98 75.65 78.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -74.99 158.34 42.3 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.595 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 51.7 m-85 -85.78 62.32 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.6 t -67.71 -175.25 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' HA ' HG12 ' A' ' 59' ' ' VAL . 4.0 p30 -57.32 -34.75 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.515 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.31 -48.82 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.513 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.7 tt0 -61.7 -70.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.673 HD13 HG23 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -41.71 -46.66 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.761 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.21 -43.72 83.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -65.9 -31.77 72.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.581 HD12 HG21 ' A' ' 28' ' ' ILE . 16.3 mt -66.1 -50.47 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.891 ' CD2' HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.34 -34.53 68.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -57.19 -15.25 5.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 53.6 mt-10 -64.43 16.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.673 ' H ' ' C ' ' A' ' 48' ' ' LYS . 2.2 tttp 68.9 49.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.91 -96.6 1.73 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.554 ' HB3' HD21 ' A' ' 21' ' ' LEU . 19.3 m-85 -87.07 160.88 18.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.72 93.48 6.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.891 HG21 ' CD2' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -122.66 -149.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.781 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 163.85 140.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.8 mmm180 -32.12 -46.62 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -54.56 43.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.13 -46.12 90.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.5 t -59.8 -46.43 93.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.63 -41.61 66.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -63.28 -43.21 98.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.114 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.2 m-85 -64.56 -42.59 95.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.5 ttt180 -51.96 -42.11 62.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.94 -36.86 72.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.574 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 10.5 mtm -67.95 -24.81 65.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.596 HD13 ' CG ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -151.74 -60.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 2' ' ' TYR . 6.3 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 3' ' ' SER . 0.8 OUTLIER -178.39 146.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 2' ' ' TYR . 0.6 OUTLIER 162.25 105.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -170.94 -164.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.3 mtt180 62.85 -173.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 95.3 m 62.68 86.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -174.53 106.04 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -179.06 175.2 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG12 ' N ' ' A' ' 10' ' ' ARG . 88.2 t -144.8 -103.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.543 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -178.89 -84.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -176.32 136.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.093 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -179.09 -179.65 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.92 -147.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.5 47.12 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.75 5.56 46.26 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.698 ' C ' HD12 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -62.67 149.33 43.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 16' ' ' LEU . 8.5 p -90.4 155.34 19.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -34.32 40.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.32 -36.62 49.76 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' CG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 mm-40 -59.17 -41.09 87.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.585 HD12 ' CE2' ' A' ' 62' ' ' TYR . 0.2 OUTLIER -51.53 -41.32 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.614 ' SD ' HD21 ' A' ' 66' ' ' LEU . 39.2 tpp -55.65 -60.28 3.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -31.75 72.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 tt -66.88 -43.97 82.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.679 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.81 -44.98 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 2.3 tttt -65.64 -34.29 77.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -53.85 -39.85 65.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.544 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 2.1 mt -67.92 -40.38 83.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.3 OUTLIER -83.12 -2.4 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 26' ' ' LYS . 1.6 tm-20 -48.32 -29.82 4.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 31' ' ' ASN . 2.0 p30 -158.8 44.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.587 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -40.11 156.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.303 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -84.56 157.59 21.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -71.45 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -5.9 47.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.5 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 10.6 mtpp -133.12 81.41 56.93 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.615 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.3 Cg_endo -75.0 -158.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.454 1.765 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.615 ' CD1' ' O ' ' A' ' 37' ' ' PRO . 11.7 m-85 -152.59 61.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -171.44 1.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.986 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' O ' HG11 ' A' ' 59' ' ' VAL . 5.7 p-10 -58.7 -34.84 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -64.23 -50.03 69.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 2.3 tp10 -63.03 -65.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.606 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.4 OUTLIER -43.83 -46.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.676 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.31 -43.43 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.511 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 3.6 m-80 -67.81 -28.65 67.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.51 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 4.2 mt -66.15 -37.81 80.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.913 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -55.84 -35.83 66.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' N ' ' A' ' 50' ' ' LYS . 4.5 mtmt -56.62 -25.71 53.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 3.5 mm-40 -42.33 -27.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.9 OUTLIER -166.96 -38.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 156.8 -66.07 0.3 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.116 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' HB3' ' CG2' ' A' ' 54' ' ' VAL . 2.2 m-30 58.51 12.68 2.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.06 62.41 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.913 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -129.83 -163.21 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.783 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 159.04 148.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 42.9 mtp180 -33.33 -46.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -53.94 51.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.518 HG22 ' CE2' ' A' ' 62' ' ' TYR . 1.3 m -60.08 -45.44 92.92 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -59.77 -45.71 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.56 -43.17 65.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -64.14 -43.56 94.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.679 ' CD2' HD12 ' A' ' 25' ' ' ILE . 7.9 m-85 -65.23 -41.28 94.56 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.06 -41.14 71.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.61 -34.62 74.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -67.45 -37.68 83.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.614 HD21 ' SD ' ' A' ' 22' ' ' MET . 1.7 mt -83.34 -64.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.467 1.105 . . . . 0.0 110.971 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' CG ' ' N ' ' A' ' 3' ' ' SER . 7.9 p90 -176.11 -41.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' A' ' 2' ' ' TYR . 7.4 p -92.25 57.32 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 tp -73.35 -160.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.63 98.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 m 61.82 82.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -110.29 37.48 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -133.69 163.77 28.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 9' ' ' VAL . 11.5 p -146.17 53.64 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 41.06 69.7 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.58 142.57 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.267 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.11 -153.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB2' ' CA ' ' A' ' 52' ' ' PHE . . . -61.82 -143.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 50.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 44.78 24.64 0.75 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -54.55 152.49 6.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 p -87.76 156.5 19.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.2 -34.61 60.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.77 -31.82 59.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -67.15 -40.41 86.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 110.281 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -57.46 -40.64 78.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.47 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 41.4 tpp -54.79 -65.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 27' ' ' GLU . 4.0 mttt -60.51 -28.28 68.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD13 ' HE1' ' A' ' 52' ' ' PHE . 11.4 mt -66.12 -44.33 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.662 ' O ' HG23 ' A' ' 29' ' ' VAL . 6.0 mt -65.56 -43.17 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' HG3' HD12 ' A' ' 66' ' ' LEU . 1.3 ttpm? -64.68 -41.22 96.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 28' ' ' ILE . 0.0 OUTLIER -53.56 -37.44 62.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.829 HG21 HD12 ' A' ' 46' ' ' ILE . 6.8 mt -67.78 -31.59 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.8 OUTLIER -90.87 17.82 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.352 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.77 -28.77 66.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -148.88 56.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.63 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.08 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -157.92 150.36 22.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -77.29 -31.4 54.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -90.41 -6.56 54.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.88 69.29 1.01 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 158.01 42.28 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.462 1.77 . . . . 0.0 110.974 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.639 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 51.2 m-85 -85.67 64.5 8.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 42' ' ' GLU . 2.7 m -71.04 168.32 17.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.6 OUTLIER -42.02 -34.78 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.517 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.6 tp60 -64.94 -47.35 78.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.601 ' OE2' ' CD1' ' A' ' 38' ' ' TYR . 3.5 tt0 -62.21 -70.05 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.18 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.619 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.41 -46.01 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.679 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.41 -43.74 84.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.517 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.2 m-80 -64.12 -39.11 93.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.829 HD12 HG21 ' A' ' 28' ' ' ILE . 13.9 mt -55.19 -36.17 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.62 -29.92 62.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.536 ' C ' ' H ' ' A' ' 50' ' ' LYS . 10.5 ttpp -56.49 -26.15 53.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -64.35 3.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 55.93 50.18 14.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.578 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -141.9 24.85 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.445 1.09 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' HA ' HD21 ' A' ' 16' ' ' LEU . 66.9 m-85 -164.71 -58.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.564 ' HA ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER 72.48 70.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.693 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t -110.58 -139.75 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.868 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 170.96 138.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' ALA . 4.1 ptm180 -33.43 -44.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -57.63 11.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -61.25 -40.22 93.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.38 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.5 t -63.47 -40.7 90.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -42.71 75.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -63.96 -42.94 97.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.649 ' CG ' HD12 ' A' ' 25' ' ' ILE . 13.1 m-85 -62.61 -39.39 93.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 -49.9 -41.88 46.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -70.24 -39.03 75.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.47 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 28.8 mtm -67.64 -37.29 82.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.713 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.3 mm? -62.3 -64.52 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -178.49 175.02 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -168.11 126.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.001 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.17 170.65 22.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.7 144.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.9 m -154.45 145.28 22.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.439 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -155.48 170.17 22.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 8' ' ' PHE . 3.9 p90 -37.56 140.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.739 ' O ' HG13 ' A' ' 9' ' ' VAL . 9.5 p -159.05 83.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 67.58 93.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.8 110.33 4.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.79 -171.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.597 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . -41.59 157.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' LEU . 2.7 tt0 -66.75 -140.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.14 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.62 ' O ' ' N ' ' A' ' 17' ' ' THR . . . -41.28 -22.5 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.852 ' CD1' HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER 32.76 31.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.62 ' N ' ' O ' ' A' ' 15' ' ' GLY . 2.1 p -66.69 154.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 22' ' ' MET . 2.3 mp0 -41.87 -34.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.321 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -76.95 -38.94 29.32 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.454 1.097 . . . . 0.0 110.996 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 17' ' ' THR . 2.0 mm-40 -67.38 -44.4 79.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.852 HD23 ' CD1' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -52.96 -39.59 63.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 66' ' ' LEU . 4.2 mtp -52.26 -60.26 3.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.97 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -27.73 64.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.3 mt -66.0 -44.88 83.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.988 HD12 ' CD2' ' A' ' 62' ' ' TYR . 11.2 mt -68.0 -45.05 84.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.517 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -63.98 -39.97 95.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.33 -36.54 71.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.804 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.77 -29.73 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.71 HG22 HD11 ' A' ' 43' ' ' ILE . 1.4 t -89.81 15.92 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -70.17 -28.93 65.71 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -146.27 54.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.443 1.09 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.626 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.1 -157.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.502 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 10.4 t0 -160.64 150.87 17.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -40.35 45.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mmm-85 -78.97 -8.73 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.85 68.88 1.0 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.502 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.0 158.89 41.96 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.626 ' CE2' ' HA ' ' A' ' 32' ' ' GLU . 45.5 m-85 -85.91 58.72 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.11 168.37 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 1.2 p-10 -48.5 -35.1 12.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.505 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.3 tp60 -66.56 -50.3 63.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.6 tt0 -64.64 -68.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.838 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -41.21 -44.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.762 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.11 -45.32 83.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.505 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 10.3 m-80 -67.77 -23.59 65.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.498 HD13 HG12 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -70.3 -34.31 57.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.98 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -56.32 -38.22 70.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -41.87 80.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.92 -35.04 79.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HG2' ' CZ ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -81.83 -56.51 3.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.44 3.19 30.98 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CZ ' ' HG2' ' A' ' 50' ' ' LYS . 16.4 m-30 -56.56 -168.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -112.48 67.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.98 ' HB ' HD22 ' A' ' 47' ' ' LEU . 1.1 t -113.64 -176.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.855 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 173.53 154.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.9 OUTLIER -38.05 -47.13 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.273 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -46.0 92.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.6 m -67.85 -43.76 78.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.419 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.12 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.58 96.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.78 -44.77 92.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.4 m-85 -66.87 -41.81 86.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 67' ' ' GLY . 4.4 tpt85 -47.05 -40.8 15.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -38.34 73.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.415 ' SD ' ' HE3' ' A' ' 22' ' ' MET . 23.7 mtm -67.87 -18.64 64.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 22' ' ' MET . 0.1 OUTLIER -151.71 -67.83 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -161.87 174.9 12.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 4' ' ' LEU . 81.3 p -126.33 -173.12 2.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER 169.38 -170.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER 83.31 161.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -151.75 140.78 21.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.535 ' O ' ' CD1' ' A' ' 8' ' ' PHE . 3.1 t80 -67.66 175.1 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 7' ' ' PHE . 49.7 m-85 -159.18 -175.7 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.753 HG22 ' N ' ' A' ' 10' ' ' ARG . 2.0 p -144.63 -104.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.753 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -169.58 -73.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -178.27 94.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' ALA . 74.8 p -92.64 -171.56 2.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.001 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' A' ' 12' ' ' SER . . . -56.17 -107.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.34 29.98 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.27 0.82 55.09 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.786 HD23 ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -62.66 153.13 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -87.53 155.41 19.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.81 -33.08 9.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.61 -41.66 50.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.11 -40.4 76.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 0.765 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.506 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -59.92 -40.55 89.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 20.6 mtp -56.57 -60.62 3.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 20.7 tttp -60.28 -26.58 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.536 ' CD1' HD22 ' A' ' 16' ' ' LEU . 1.3 mt -66.3 -43.82 85.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.963 HD12 ' CD2' ' A' ' 62' ' ' TYR . 6.0 mt -67.55 -44.74 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -63.38 -31.04 72.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.12 -39.27 74.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.696 ' CG2' ' CD1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.74 -42.33 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG22 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -77.88 3.23 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -69.19 -22.01 63.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -156.92 58.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.617 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 1.7 pt-20 -62.14 -158.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -158.23 164.22 36.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -69.78 -67.5 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -3.54 28.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.16 78.31 15.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -160.59 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.696 ' CD1' ' CG2' ' A' ' 28' ' ' ILE . 2.4 m-85 -153.22 53.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.87 168.78 19.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.99 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.642 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -48.49 -27.73 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.729 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 12.9 tp60 -67.98 -63.28 1.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.658 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 7.6 tt0 -55.46 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.825 HD13 HG23 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -34.41 -37.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -57.9 -53.89 53.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.266 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.658 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -68.67 -12.46 61.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.351 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.629 HD11 ' HE1' ' A' ' 38' ' ' TYR . 5.9 mt -81.56 -47.35 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.694 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -56.79 -35.57 68.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -38.58 72.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -64.22 -25.04 67.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -88.04 -48.72 7.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.6 -2.67 13.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.786 ' CE1' HD23 ' A' ' 16' ' ' LEU . 20.0 m-85 -56.75 159.52 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 0.745 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -93.87 81.93 4.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.732 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -125.97 -158.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 54' ' ' VAL . . . 159.28 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -32.4 -44.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -55.32 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.51 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.4 -48.06 83.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.433 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.5 t -57.11 -43.5 81.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.94 -42.09 59.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -63.28 -43.7 97.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.963 ' CD2' HD12 ' A' ' 25' ' ' ILE . 6.4 m-85 -65.54 -40.31 92.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.21 -41.02 49.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -38.76 79.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.454 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.3 mpp? -67.76 -37.55 82.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.1 mm? -82.86 -64.28 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.565 HG22 ' O ' ' A' ' 1' ' ' THR . 22.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -175.8 -178.94 1.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.32 177.98 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.22 116.46 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -173.86 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.5 p -148.82 -173.77 4.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.34 -176.94 5.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.99 -171.46 3.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.746 HG22 ' N ' ' A' ' 10' ' ' ARG . 2.1 p -144.6 -105.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.746 ' N ' HG22 ' A' ' 9' ' ' VAL . 1.7 ttt180 76.28 91.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -156.68 158.78 37.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -165.25 -164.35 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.981 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.76 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' C ' ' O ' ' A' ' 13' ' ' ALA . 2.9 tt0 32.27 71.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.163 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 131.49 -7.17 5.6 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.812 HD22 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -52.44 153.61 2.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 p -87.36 157.52 19.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -34.1 57.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.89 -35.24 58.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 24' ' ' LEU . 10.0 mt-10 -67.08 -40.14 86.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.812 HD22 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.23 -40.97 87.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.884 ' HG3' HD22 ' A' ' 66' ' ' LEU . 27.7 ttm -54.42 -59.25 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.77 -35.02 72.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD22 ' HE2' ' A' ' 52' ' ' PHE . 12.0 mt -66.38 -41.57 89.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.927 HG22 HD11 ' A' ' 66' ' ' LEU . 4.9 mt -67.58 -45.31 85.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.833 ' HB2' HD13 ' A' ' 66' ' ' LEU . 1.7 tmmm? -63.49 -33.13 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -55.57 -41.17 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.2 mp -67.98 -41.0 84.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.618 HG12 ' HG2' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -83.9 7.56 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.76 -29.62 59.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -158.82 45.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG2' HG12 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -43.17 156.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER -84.82 158.8 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -71.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -5.67 43.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 15.9 ttpp -134.34 82.4 46.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.591 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.4 Cg_endo -75.06 -158.14 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.484 1.781 . . . . 0.0 111.04 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.6 ' O ' HD12 ' A' ' 43' ' ' ILE . 9.2 m-85 -152.5 62.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 12.8 t -75.13 -172.17 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.689 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.4 OUTLIER -59.72 -32.72 70.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.2 tp60 -65.39 -53.66 39.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 1.7 tm-20 -60.85 -67.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.769 HG22 HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -42.1 -47.79 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -54.87 -43.77 73.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.495 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.4 m-80 -67.11 -34.58 77.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.48 -48.61 84.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.779 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.09 -27.25 61.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.8 OUTLIER -56.68 -21.04 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 1.8 mt-10 -64.19 0.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER 70.41 47.69 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.62 ' C ' ' CD1' ' A' ' 52' ' ' PHE . . . -121.5 1.22 11.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.785 ' HB3' HD21 ' A' ' 21' ' ' LEU . 23.2 m-85 -161.2 -53.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 0.793 . . . . 0.0 111.033 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 84.51 86.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.779 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.7 t -124.78 -141.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.744 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 176.17 133.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 55' ' ' ALA . 5.1 mtp180 -33.0 -39.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -59.97 -60.07 4.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.626 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.75 -42.89 98.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.769 HG11 HG22 ' A' ' 43' ' ' ILE . 2.7 t -61.32 -39.34 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.81 -42.14 71.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -63.65 -43.25 97.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.2 m-85 -63.77 -35.4 80.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -53.71 -42.4 68.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.284 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -70.93 -40.1 72.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.507 ' HB3' ' HE1' ' A' ' 22' ' ' MET . 30.5 mtm -68.4 -23.2 64.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.927 HD11 HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -151.71 65.83 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -101.56 176.06 5.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 80.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.1 pp -165.79 69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -162.85 52.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.4 m -89.68 150.18 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.475 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 34.0 p90 -121.04 110.67 16.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -176.49 140.64 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 9' ' ' VAL . 60.2 t -144.78 56.81 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -179.1 82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -64.14 -70.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t 62.25 161.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.55 ' HB1' ' HG ' ' A' ' 16' ' ' LEU . . . -155.8 -100.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 13' ' ' ALA . 2.2 tt0 31.42 63.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 145.67 -15.58 1.8 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.544 1.152 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -43.12 153.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 0.801 . . . . 0.0 109.322 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.3 p -87.68 156.51 19.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.362 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -54.37 -34.53 61.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.89 -34.94 55.2 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 66.7 mt-10 -66.06 -40.55 90.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 0.778 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.712 HD22 HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -59.48 -39.0 82.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.487 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 17.7 mtp -51.18 -60.73 2.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.5 mmtt -64.32 -28.52 69.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.911 HD22 ' CE2' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -67.1 -42.86 83.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.9 HD12 ' CD2' ' A' ' 62' ' ' TYR . 3.1 mt -66.07 -45.62 90.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.742 ' HB2' HD22 ' A' ' 66' ' ' LEU . 10.1 ttmm -65.36 -33.92 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 1.7 mt-10 -57.68 -38.91 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.667 HG21 HD12 ' A' ' 46' ' ' ILE . 5.2 mt -67.78 -38.1 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.806 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.72 -8.32 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLU . 3.3 tt0 -71.48 -4.89 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.279 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -157.11 45.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.648 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.48 -156.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -158.45 162.17 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -68.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -4.96 41.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -136.76 80.35 37.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -160.86 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.696 ' O ' HD12 ' A' ' 43' ' ' ILE . 1.8 m-85 -153.43 56.71 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.0 m -75.21 -179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -47.57 -32.36 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.57 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 24.9 tp60 -65.21 -73.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.57 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.7 tt0 -40.81 -68.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.806 HD11 HG22 ' A' ' 29' ' ' VAL . 0.6 OUTLIER -42.58 -49.7 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.593 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.04 -43.35 86.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 1.6 m120 -60.96 -39.33 89.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.667 HD12 HG21 ' A' ' 28' ' ' ILE . 29.1 mt -56.33 -38.87 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -53.09 -35.65 59.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 50' ' ' LYS . 5.1 ttpt -56.45 -18.21 10.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -59.06 -7.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 69.51 46.03 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' C ' ' CD1' ' A' ' 52' ' ' PHE . . . -151.6 30.22 0.94 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.911 ' CE2' HD22 ' A' ' 24' ' ' LEU . 65.3 m-85 -157.85 -71.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 0.774 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 84.57 54.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.685 ' CG1' HG22 ' A' ' 58' ' ' THR . 2.0 t -96.01 -138.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.849 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 166.35 138.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -34.29 -44.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -60.59 -55.85 28.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.685 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -61.64 -40.22 94.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.0 t -64.53 -38.04 81.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.75 -41.47 98.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -62.08 -43.11 99.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.9 ' CD2' HD12 ' A' ' 25' ' ' ILE . 5.2 m-85 -65.14 -40.49 94.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.42 -41.41 52.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -70.07 -37.99 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.487 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 21.0 mtm -67.64 -37.96 83.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.742 HD22 ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -83.25 -64.1 1.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -126.53 104.3 8.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -126.37 164.5 20.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -90.4 146.51 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -159.37 98.42 1.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.4 m 62.66 94.55 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' O ' ' A' ' 7' ' ' PHE . 24.2 p90 -114.23 94.81 4.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.499 ' O ' ' CG ' ' A' ' 8' ' ' PHE . 38.6 p90 -57.05 118.29 4.86 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.53 1.144 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 10' ' ' ARG . 91.4 t -144.72 -107.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.638 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -172.77 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.255 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 39.18 -98.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.271 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ARG . 3.0 m -100.58 147.96 25.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 52' ' ' PHE . . . 41.2 -126.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.3 29.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . 76.92 7.99 86.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.703 ' O ' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -38.23 152.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.3 p -88.28 157.02 18.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.389 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -52.39 -34.16 46.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.24 -39.46 52.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HD12 ' A' ' 24' ' ' LEU . 3.9 mm-40 -62.17 -37.9 87.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.339 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.661 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -63.22 -39.55 94.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.481 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 9.1 mtp -57.31 -61.49 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.17 -28.11 67.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -66.39 -43.63 85.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.87 HD12 ' CD2' ' A' ' 62' ' ' TYR . 2.7 mt -67.21 -45.98 85.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -33.93 77.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -59.84 -37.02 78.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.626 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 0.6 OUTLIER -67.17 -31.93 55.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -86.8 18.97 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 8.6 mm-40 -68.73 -28.03 66.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -142.94 55.48 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.8 OUTLIER -61.67 -144.4 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.322 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.482 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 5.0 t70 -157.45 -143.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -155.91 46.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.32 -34.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' N ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -149.75 56.84 2.45 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.566 ' HD3' ' N ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.95 -174.83 2.07 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.856 ' O ' HD12 ' A' ' 43' ' ' ILE . 35.0 m-85 -85.2 59.68 5.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.62 167.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.426 ' O ' HG11 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -45.25 -39.93 6.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.604 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -66.45 -44.09 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.604 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 12.9 tt0 -63.92 -70.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.856 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -41.13 -44.63 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.24 -44.7 84.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.564 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 22.9 m-80 -68.43 -37.82 80.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.474 HD13 HG12 ' A' ' 28' ' ' ILE . 3.4 mt -52.44 -44.81 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.804 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -50.27 -34.16 22.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' C ' ' N ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.29 -25.86 49.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -40.84 -29.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -167.01 -37.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 117.51 89.52 1.39 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -86.73 -0.73 56.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 tptm 84.05 51.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.804 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -127.4 -179.64 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.817 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -176.19 151.91 1.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ALA . 2.5 mtp85 -33.73 -46.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.294 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.92 -53.7 54.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.496 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 m -60.3 -43.17 96.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -63.86 -46.05 95.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.8 76.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -63.86 -45.02 91.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.87 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.0 m-85 -67.27 -40.69 86.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.39 -41.02 5.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.258 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.23 -39.35 78.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.45 ' HE2' ' HA ' ' A' ' 62' ' ' TYR . 2.9 mpp? -68.14 -37.35 80.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.697 HD22 ' O ' ' A' ' 62' ' ' TYR . 1.7 mm? -83.04 -60.42 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -174.88 161.6 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.9 p -172.42 163.08 5.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -172.84 170.89 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -179.92 168.12 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 7' ' ' PHE . 25.4 m -156.14 166.08 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 6' ' ' THR . 27.4 p90 -155.89 127.99 7.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 179.09 155.86 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.657 HG12 ' N ' ' A' ' 10' ' ' ARG . 89.8 t -144.69 -106.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.657 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 175.99 95.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -151.3 151.36 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.97 160.34 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.39 179.15 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -80.18 49.73 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 46.35 22.8 1.06 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.528 HD21 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.86 159.35 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.6 p -86.66 157.03 19.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -32.1 61.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.245 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.09 -37.44 63.95 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.156 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.57 -39.35 88.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 HD22 HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -61.14 -39.57 90.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.874 ' SD ' HD13 ' A' ' 66' ' ' LEU . 35.0 tpp -51.37 -61.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.7 ttpm? -61.87 -28.24 69.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 28' ' ' ILE . 0.3 OUTLIER -66.12 -45.01 82.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.686 HG22 HD11 ' A' ' 66' ' ' LEU . 6.6 mt -68.23 -45.99 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.033 ' HB2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.59 -33.37 75.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.81 -39.81 74.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.3 mt -67.72 -38.26 80.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 43' ' ' ILE . 1.3 t -82.93 -0.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.15 -29.01 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -134.56 48.66 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -62.25 -156.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.288 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -160.35 157.34 27.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -63.18 -69.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -5.83 43.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 78.86 44.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HA ' ' OE1' ' A' ' 32' ' ' GLU . 18.4 Cg_endo -74.97 -159.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.553 1.817 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.785 ' O ' HD12 ' A' ' 43' ' ' ILE . 2.0 m-85 -153.32 53.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.5 169.4 17.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.0 OUTLIER -42.95 -35.66 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 5.7 tp60 -60.51 -58.76 7.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ASN . 5.2 tp10 -59.42 -64.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.785 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.5 OUTLIER -43.43 -49.11 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.627 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.48 -39.6 80.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 42' ' ' GLU . 2.3 m-80 -68.93 -22.15 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.603 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 7.2 mt -65.79 -44.98 92.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.966 HD13 ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -56.16 -36.78 68.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 50' ' ' LYS . 21.1 mttm -56.71 -21.13 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 3.2 mm-40 -64.49 -1.34 1.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 110.306 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.2 OUTLIER 69.35 39.85 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.581 ' O ' ' CG ' ' A' ' 52' ' ' PHE . . . -114.65 -18.89 6.32 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CG ' ' O ' ' A' ' 51' ' ' GLY . 75.0 m-85 -164.68 168.34 18.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 0.772 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.966 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.4 ttpp -76.61 -105.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.753 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER 62.55 -175.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.782 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 175.81 151.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' ALA . 74.1 mtm180 -33.35 -47.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -61.41 -52.1 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.3 m -60.2 -48.54 81.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.03 -46.45 87.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.29 -43.68 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.01 -42.56 97.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.681 ' O ' HD23 ' A' ' 66' ' ' LEU . 7.9 m-85 -65.17 -40.62 94.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 ttp85 -47.37 -40.65 18.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.12 -40.06 82.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.438 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 31.6 mtm -68.73 -33.08 73.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.033 HD12 ' HB2' ' A' ' 26' ' ' LYS . 1.3 pt? -151.81 97.94 2.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.536 1.147 . . . . 0.0 110.966 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -171.74 153.28 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.07 174.81 5.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.38 179.53 8.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 5' ' ' ARG . 16.8 ttp-105 -167.21 145.3 4.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.3 m -154.2 130.11 10.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 177.97 112.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -175.56 149.67 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.656 HG12 ' N ' ' A' ' 10' ' ' ARG . 86.1 t -144.73 -106.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.656 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.5 OUTLIER -168.38 -87.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.084 . . . . 0.0 110.339 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 61.61 -169.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 p -62.88 -149.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.954 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.858 ' HB2' ' O ' ' A' ' 51' ' ' GLY . . . -47.76 170.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' LEU . 1.4 pt-20 -62.77 169.91 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.43 59.69 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.741 HD22 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -80.44 151.73 29.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.3 p -87.49 156.46 19.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.356 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -52.22 -34.35 45.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.271 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.7 -33.46 60.49 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.507 1.129 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -67.9 -39.37 83.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 0.779 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.011 HD21 ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -60.0 -40.91 90.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.785 ' SD ' HD22 ' A' ' 66' ' ' LEU . 28.4 tpp -54.97 -57.54 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -61.23 -29.11 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.966 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 6.2 mt -66.76 -44.73 80.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 66' ' ' LEU . 8.3 mt -67.97 -45.1 84.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.74 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.35 -40.37 93.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 0.4 OUTLIER -53.45 -36.81 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.638 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.5 -39.0 81.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.593 1.183 . . . . 0.0 109.337 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.9 t -79.35 18.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 5.8 mm-40 -66.5 -27.86 68.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -150.68 53.6 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.3 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.501 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 0.8 OUTLIER -157.58 150.77 23.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -77.24 -50.72 12.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.7 ttt180 -74.02 -3.8 31.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.57 70.3 1.09 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.01 156.74 42.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.503 ' HA ' ' CB ' ' A' ' 42' ' ' GLU . 15.6 m-30 -85.9 61.91 7.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -65.44 169.3 6.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.012 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -42.75 -33.17 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.5 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 1.2 tp60 -64.54 -46.88 80.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.503 ' CB ' ' HA ' ' A' ' 38' ' ' TYR . 5.9 tp10 -64.33 -69.95 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.603 HG22 ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.53 -45.74 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -57.15 -44.4 83.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.5 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.2 m-80 -67.81 -36.14 79.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.638 HD12 HG21 ' A' ' 28' ' ' ILE . 13.3 mt -57.67 -44.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.971 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -51.97 -34.71 43.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' LYS . 16.4 tttm -56.27 -28.23 57.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.335 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -39.86 -31.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -167.04 -38.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.858 ' O ' ' HB2' ' A' ' 13' ' ' ALA . . . 126.7 88.78 0.68 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 1.011 ' O ' HD21 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -87.0 30.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.748 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt 51.25 48.28 23.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.971 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -122.77 -156.45 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . 16.5 mtp-105 -39.9 -50.68 2.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.483 ' HG2' ' N ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -61.66 -37.68 84.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 57' ' ' ARG . 2.1 m -71.85 -52.53 16.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 110.366 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -54.41 -37.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.39 82.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.26 -44.78 90.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.018 ' CD2' HD12 ' A' ' 25' ' ' ILE . 8.6 m-85 -67.24 -40.41 86.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 111.033 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.0 OUTLIER -43.01 -42.38 3.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.64 -32.94 68.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.489 ' N ' ' O ' ' A' ' 62' ' ' TYR . 1.9 mpp? -67.59 -28.98 68.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.064 HD11 HG22 ' A' ' 25' ' ' ILE . 2.6 pt? -151.43 -53.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.488 1.117 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.574 ' O ' ' CD2' ' A' ' 2' ' ' TYR . 94.3 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' CD2' ' O ' ' A' ' 1' ' ' THR . 10.6 m-85 -170.08 154.04 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.25 177.16 8.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.46 179.21 9.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -167.32 -177.75 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.24 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.3 p -146.95 -177.15 5.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.435 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -152.07 112.51 4.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 178.36 152.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.762 HG22 ' N ' ' A' ' 10' ' ' ARG . 2.0 p -144.65 -104.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.762 ' N ' HG22 ' A' ' 9' ' ' VAL . 0.0 OUTLIER 175.98 96.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -150.76 157.62 43.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 13' ' ' ALA . 22.7 t -139.16 -142.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.98 -112.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.3 tt0 30.1 70.27 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.69 -4.14 6.15 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -53.73 173.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 0.732 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -86.89 156.68 19.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.425 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -59.47 -32.02 69.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.0 -38.88 63.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.7 -37.31 84.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.339 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -65.06 -39.65 93.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.561 ' HG2' ' CE2' ' A' ' 62' ' ' TYR . 2.8 mtp -51.51 -55.72 17.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.67 -30.58 71.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.4 mt -66.23 -43.51 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.102 HD12 ' CD2' ' A' ' 62' ' ' TYR . 8.0 mt -66.43 -45.03 90.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.835 ' HB2' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.29 -40.81 98.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.18 -32.87 73.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 24' ' ' LEU . 1.1 mt -67.65 -42.05 86.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.788 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -92.27 20.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.15 -29.17 68.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -141.58 57.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.265 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.595 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -60.97 -162.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.308 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.67 160.92 34.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.32 -30.56 54.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -76.53 -52.53 9.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -130.18 77.78 75.74 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.92 42.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.464 1.77 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.789 ' O ' HD12 ' A' ' 43' ' ' ILE . 60.2 m-85 -85.98 48.93 1.68 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 42' ' ' GLU . 1.4 m -66.23 168.88 7.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -46.78 -33.78 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.53 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -66.66 -34.77 78.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' HB3' ' HA ' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -80.1 -71.92 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.7 OUTLIER -38.73 -50.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.744 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -58.46 -45.89 87.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.53 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 1.7 m-80 -67.7 -23.09 65.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.504 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -65.21 -39.43 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.3 OUTLIER -56.11 -36.46 68.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' LYS . 1.2 tttp -56.86 -19.65 18.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -61.48 -5.87 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 67.24 43.43 2.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.61 ' O ' ' CD1' ' A' ' 52' ' ' PHE . . . -126.66 -1.56 7.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.16 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.632 ' CE1' HD13 ' A' ' 24' ' ' LEU . 57.8 m-85 -164.16 170.03 16.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.755 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -114.6 61.61 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.678 HG12 ' H ' ' A' ' 55' ' ' ALA . 1.4 t -97.05 -172.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.987 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.75 154.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -38.1 -45.33 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.36 -57.67 11.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.515 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.3 m -60.25 -37.95 81.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 55' ' ' ALA . 6.3 t -65.15 -39.65 86.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.86 98.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.4 ' O ' ' SD ' ' A' ' 65' ' ' MET . 0.0 OUTLIER -63.03 -45.93 89.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.102 ' CD2' HD12 ' A' ' 25' ' ' ILE . 4.7 m-85 -68.47 -40.21 81.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -50.22 -42.19 51.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.408 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 2.0 mpp? -68.21 -22.45 64.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.891 HD11 HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -151.82 65.15 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 1' ' ' THR . 7.0 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -167.43 172.62 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.57 -174.9 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.55 142.01 33.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -174.54 4.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.5 p -144.62 -171.05 3.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -128.41 -173.67 3.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -97.22 -49.22 5.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.553 ' O ' HG12 ' A' ' 9' ' ' VAL . 4.9 t 57.73 88.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -154.14 -63.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 10' ' ' ARG . 4.0 pm0 34.23 -149.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.24 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.35 -156.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.014 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 14' ' ' GLU . . . -55.68 -104.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 13' ' ' ALA . 10.7 tt0 58.09 137.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.236 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.09 10.51 20.93 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.455 1.097 . . . . 0.0 110.996 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.89 ' HG ' HD22 ' A' ' 21' ' ' LEU . 3.3 tp -40.72 147.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 0.723 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 5.6 p -92.31 156.47 17.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -61.57 -34.19 75.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.53 -40.9 37.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 13.6 mm-40 -63.55 -43.47 96.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 0.756 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.89 HD22 ' HG ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -54.25 -43.3 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.641 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 46.0 mmm -56.5 -60.88 2.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -59.89 -26.29 65.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.868 HD12 HD21 ' A' ' 16' ' ' LEU . 3.1 tt -65.95 -45.08 83.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.006 HD12 ' CD2' ' A' ' 62' ' ' TYR . 4.9 mt -68.49 -45.08 82.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.56 -38.99 93.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.875 HG21 HD12 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -67.44 -30.38 48.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.79 ' CG2' HD11 ' A' ' 43' ' ' ILE . 3.1 t -90.37 2.63 7.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.64 -28.26 64.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -137.59 51.87 1.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.608 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.18 -157.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.48 160.47 26.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.65 -69.8 0.31 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -10.08 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.13 78.87 39.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -159.66 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.728 ' CE1' HD11 ' A' ' 46' ' ' ILE . 2.4 m-85 -152.93 58.63 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.507 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 11.5 t -74.67 -174.04 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.9 OUTLIER -60.0 -35.6 75.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.51 ' NE2' ' ND2' ' A' ' 45' ' ' ASN . 2.1 tp60 -65.0 -51.17 63.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 5.1 tt0 -62.67 -68.77 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.79 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -41.83 -46.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.753 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.16 -43.63 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.51 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 4.8 m-80 -68.4 -35.69 78.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.875 HD12 HG21 ' A' ' 28' ' ' ILE . 4.2 mt -53.9 -44.71 61.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.926 HD22 ' HB ' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -49.85 -40.67 43.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -57.12 -26.24 60.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 46' ' ' ILE . 0.1 OUTLIER -64.26 -10.98 27.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 -44.22 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.12 28.95 5.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HE1' HD22 ' A' ' 16' ' ' LEU . 41.3 m-85 -56.22 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.47 50.3 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.926 ' HB ' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -111.24 174.69 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.816 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -179.48 155.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 55' ' ' ALA . 14.1 mmt85 -34.15 -45.4 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.334 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -54.72 41.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.488 HG21 HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.06 -42.81 95.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.358 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.4 t -64.83 -46.33 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.96 72.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.09 -44.81 91.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.006 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.9 m-85 -66.73 -40.28 88.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -43.43 -41.04 4.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -69.55 -37.0 76.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' TYR . 2.1 mpp? -67.57 -38.09 83.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 62' ' ' TYR . 0.4 OUTLIER -83.11 -64.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -95.8 -177.04 3.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -120.63 -164.94 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER 62.66 116.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.32 121.52 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 7' ' ' PHE . 23.3 m -150.7 165.19 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.397 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' N ' HG22 ' A' ' 6' ' ' THR . 0.8 OUTLIER -174.53 146.21 1.0 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -176.15 139.23 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.478 HG23 ' H ' ' A' ' 10' ' ' ARG . 0.9 OUTLIER -91.22 -105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -172.45 -59.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 10' ' ' ARG . 10.0 tt0 86.98 144.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -177.68 165.71 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.975 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.481 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -57.75 -101.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.0 tt0 32.63 65.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.46 6.4 15.3 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.081 HD21 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -48.43 175.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -87.48 156.58 19.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -60.24 -34.37 73.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.42 -35.87 55.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.958 ' HB3' HD12 ' A' ' 16' ' ' LEU . 3.1 mm-40 -65.63 -30.87 71.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.3 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.081 HD22 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -50.27 -40.67 48.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.836 ' HG3' HD21 ' A' ' 66' ' ' LEU . 22.4 ttm -52.96 -56.98 11.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -65.18 -33.14 75.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.978 HD12 HD13 ' A' ' 16' ' ' LEU . 2.6 tt -66.92 -38.8 86.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.2 mt -67.69 -44.13 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -63.69 -24.87 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.447 ' O ' ' CG ' ' A' ' 30' ' ' GLU . 2.5 mt-10 -64.38 -38.42 90.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.642 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 0.9 OUTLIER -67.41 -31.55 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.6 OUTLIER -85.52 18.31 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 27' ' ' GLU . 4.3 mm-40 -69.99 -28.37 65.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -152.34 57.34 0.83 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.614 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -61.99 -161.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.71 154.47 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -35.37 55.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 1.2 ptm85 -82.57 -8.62 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -166.9 70.12 1.02 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 153.35 42.03 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.54 1.81 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HB3' HD12 ' A' ' 43' ' ' ILE . 44.6 m-85 -86.23 63.61 8.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -74.69 168.41 19.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -46.14 -28.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.604 ' O ' ' HB3' ' A' ' 44' ' ' ALA . 10.9 tp60 -66.22 -58.4 5.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.601 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 5.7 tt0 -57.77 -72.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.662 HD12 ' HB3' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -34.08 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 41' ' ' GLN . . . -58.17 -57.45 12.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.601 ' OD1' ' HA ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -70.5 -9.32 56.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.641 ' HB ' ' HA ' ' A' ' 43' ' ' ILE . 1.6 mt -81.74 -46.89 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.03 -32.84 66.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -38.14 69.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -32.71 74.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HG3' ' CE2' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -83.52 -54.67 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.13 -0.14 8.22 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.544 1.153 . . . . 0.0 111.032 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.512 ' HB3' HD21 ' A' ' 21' ' ' LEU . 13.3 m-85 -59.05 138.62 57.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.984 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -74.86 84.17 2.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.74 HG21 HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -126.85 -161.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.14 149.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.88 -43.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 110.257 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -60.26 -57.22 13.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.539 ' CG2' HG13 ' A' ' 54' ' ' VAL . 1.2 m -60.29 -45.12 94.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.9 t -58.92 -42.9 87.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.78 -42.01 62.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -63.7 -44.07 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 25.6 m-85 -65.82 -38.86 90.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.994 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.37 -41.41 93.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -70.35 -39.03 74.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.453 ' HB3' ' CE ' ' A' ' 22' ' ' MET . 0.3 OUTLIER -67.63 -38.36 83.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.836 HD21 ' HG3' ' A' ' 22' ' ' MET . 6.8 mt -83.24 -69.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.031 179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.556 0.217 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -159.1 103.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -134.11 173.78 11.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -126.56 -178.46 4.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -153.95 171.18 19.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 p -142.45 -174.87 4.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -166.01 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.018 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.422 ' CD2' ' O ' ' A' ' 8' ' ' PHE . 52.5 p90 -117.17 123.0 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 9' ' ' VAL . 5.8 p -144.82 75.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' CG ' ' A' ' 10' ' ' ARG . 3.0 ptm180 -154.53 79.58 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 70.65 129.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.328 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -169.49 88.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.049 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.475 ' O ' ' C ' ' A' ' 14' ' ' GLU . . . -66.36 -117.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 13' ' ' ALA . 4.7 tt0 33.23 58.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.28 -6.08 4.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.632 ' CD2' HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -42.53 161.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.2 p -86.68 156.84 19.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.411 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -57.86 -34.19 69.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -33.48 59.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -67.87 -41.56 82.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 0.738 . . . . 0.0 110.321 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.632 HD22 ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -58.43 -40.01 81.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.814 ' HG3' HD11 ' A' ' 66' ' ' LEU . 28.6 ttm -53.37 -57.21 11.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.28 -35.88 78.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 mt -66.21 -42.86 88.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.692 HG23 HD13 ' A' ' 43' ' ' ILE . 2.8 mt -66.82 -46.23 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 30' ' ' GLU . 2.1 tttt -62.86 -25.98 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -60.62 -40.39 91.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.61 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.1 mp -67.91 -41.59 84.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.678 ' CG2' HD11 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -79.82 -10.11 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LYS . 2.5 tt0 -43.37 -30.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 30' ' ' GLU . 1.7 m120 -158.99 60.48 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.543 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -60.57 156.98 15.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 110.333 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 4.5 t0 -85.05 161.42 19.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.02 -71.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.45 -8.41 56.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.097 . . . . 0.0 110.354 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 8.2 mttt -131.79 83.75 56.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 18.2 Cg_endo -75.07 -156.17 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.516 1.798 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 6.0 m-85 -152.29 59.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.979 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 m -75.19 169.65 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.677 ' HA ' HG12 ' A' ' 59' ' ' VAL . 15.5 p-10 -44.31 -33.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.5 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 2.1 tp60 -65.09 -54.35 31.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -61.1 -66.35 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.741 HG22 HG11 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -42.65 -47.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -56.82 -42.58 79.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 2.9 m-80 -65.96 -38.28 88.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.4 ' CD1' ' OE1' ' A' ' 42' ' ' GLU . 38.2 mt -61.42 -51.16 76.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.816 HD23 ' CG2' ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.36 -30.39 64.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' C ' ' H ' ' A' ' 50' ' ' LYS . 21.7 tttt -56.61 -18.64 12.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -64.55 7.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 70.15 48.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.79 -87.96 1.92 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.569 1.168 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.627 ' HB3' HD21 ' A' ' 21' ' ' LEU . 24.4 m-85 -77.73 -40.82 39.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER 84.82 85.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.816 ' CG2' HD23 ' A' ' 47' ' ' LEU . 1.5 t -125.45 -147.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.745 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -178.53 135.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -32.79 -39.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -60.11 -60.39 3.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.617 HG22 ' CG1' ' A' ' 54' ' ' VAL . 0.9 OUTLIER -60.22 -41.66 93.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.422 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.7 t -63.16 -40.92 90.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.11 -42.05 76.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -63.88 -43.16 96.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 21' ' ' LEU . 11.1 m-85 -64.74 -40.48 95.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.24 -42.06 60.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -70.4 -38.71 74.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.7 mtm -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.025 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.814 HD11 ' HG3' ' A' ' 22' ' ' MET . 8.5 mp -78.98 -66.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -80.54 103.18 10.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -131.78 170.6 14.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.539 1.149 . . . . 0.0 109.951 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 4' ' ' LEU . 1.1 pt? -99.69 175.8 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.09 112.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 6' ' ' THR . 1.8 m -143.25 15.8 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.376 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.45 ' CG ' ' O ' ' A' ' 6' ' ' THR . 7.5 m-85 -171.48 69.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -174.86 57.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 111.029 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.7 t -144.84 63.89 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -58.62 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 50.94 91.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.1 m -87.12 3.12 47.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.656 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . . . 46.47 -170.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -156.37 -159.37 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.19 59.09 0.41 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.093 HD21 HD22 ' A' ' 21' ' ' LEU . 2.1 pt? -70.37 -169.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.409 ' OG1' ' HB2' ' A' ' 20' ' ' GLU . 2.6 p -86.8 156.29 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 19' ' ' GLY . 22.0 pt20 -61.54 -34.34 75.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.09 -38.9 59.29 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.958 ' HB3' HD12 ' A' ' 16' ' ' LEU . 2.3 mm-40 -67.65 -28.46 67.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.093 HD22 HD21 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -55.01 -39.76 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.504 ' HA ' ' CD2' ' A' ' 62' ' ' TYR . 8.6 mtp -52.74 -62.88 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -61.64 -27.19 68.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.03 -43.0 83.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.952 HD12 ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -61.25 -44.2 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.57 -33.77 76.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.78 -38.33 75.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.618 ' O ' ' CD2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.7 -38.95 81.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.0 OUTLIER -80.48 3.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.11 -28.35 69.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -151.8 55.24 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.602 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.1 OUTLIER -62.19 172.55 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.506 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 1.7 t0 -84.6 165.41 18.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -65.46 0.96 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 35' ' ' ARG . 1.9 ttp-105 -85.84 17.99 3.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 12.1 mttt -163.86 75.41 1.72 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.555 ' HA ' ' HB2' ' A' ' 32' ' ' GLU . 18.3 Cg_endo -75.0 159.01 41.87 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.618 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 12.1 m-85 -85.93 62.25 7.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 40' ' ' ASP . 1.4 m -75.24 169.99 16.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 44' ' ' ALA . 4.1 p-10 -38.25 -34.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 20.2 tp60 -64.98 -67.81 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 3.0 tp10 -43.75 -69.58 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.597 HD13 HG23 ' A' ' 25' ' ' ILE . 0.3 OUTLIER -42.93 -48.36 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.556 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.15 -39.04 77.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.2 m120 -67.79 -25.85 65.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' O ' ' A' ' 43' ' ' ILE . 22.5 mt -64.6 -42.72 95.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 44' ' ' ALA . 0.4 OUTLIER -56.81 -36.41 69.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.61 -25.45 52.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -64.6 3.6 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 7.8 ttpt 69.63 47.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.02 -91.59 2.2 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 1.5 m-85 -86.65 -176.23 5.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -115.11 61.16 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.725 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.7 OUTLIER -93.5 -150.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.77 142.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -33.14 -47.0 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.1 -53.25 59.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.55 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.26 -47.21 86.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.417 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' ALA . 2.2 t -58.82 -43.68 88.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.85 -41.84 71.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -44.48 95.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.952 ' CD2' HD12 ' A' ' 25' ' ' ILE . 3.8 m-85 -66.43 -40.5 89.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -41.25 73.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -39.19 77.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.279 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.422 ' SD ' ' CE ' ' A' ' 22' ' ' MET . 16.9 mtm -67.93 -36.42 80.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.55 ' CD2' HG22 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -77.44 -69.76 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 12.5 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -108.87 174.65 5.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -138.2 100.34 4.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -166.09 128.23 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.558 ' N ' HD13 ' A' ' 4' ' ' LEU . 10.0 mtt180 171.82 78.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' ARG . 20.2 p -156.21 125.76 6.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.373 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 176.54 109.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -176.6 175.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.653 HG12 ' N ' ' A' ' 10' ' ' ARG . 92.9 t -144.66 -107.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.653 ' N ' HG12 ' A' ' 9' ' ' VAL . 5.7 ttt85 -176.72 -69.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -177.64 -167.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.36 153.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.601 ' HB2' ' CD1' ' A' ' 52' ' ' PHE . . . -107.53 -125.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 13' ' ' ALA . 3.0 tt0 31.84 79.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.14 -5.52 5.34 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -75.37 159.36 31.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 p -80.93 156.93 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -55.91 -32.59 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.67 -40.5 58.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.69 -39.91 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -58.92 -40.06 83.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.42 ' CE ' ' SD ' ' A' ' 65' ' ' MET . 32.5 mtp -52.9 -56.01 19.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.35 -30.65 69.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.03 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 1.8 mt -66.68 -45.81 77.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 1.048 HD12 ' CD2' ' A' ' 62' ' ' TYR . 15.4 mt -68.88 -46.67 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.711 ' HB2' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -64.53 -30.21 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 30' ' ' GLU . 12.6 mt-10 -67.08 -33.95 76.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.76 -42.7 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.705 ' HA ' ' CD2' ' A' ' 38' ' ' TYR . 0.2 OUTLIER -91.18 12.21 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' HB3' ' HA ' ' A' ' 27' ' ' GLU . 8.3 pt-20 -56.43 -28.17 58.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 32' ' ' GLU . 13.5 p-10 -146.56 57.56 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -55.58 -161.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -159.36 169.27 24.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 2.23 23.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -149.27 75.41 9.63 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -159.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.445 1.76 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.831 ' O ' HD12 ' A' ' 43' ' ' ILE . 7.2 m-85 -153.3 47.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.99 168.88 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.977 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.538 ' HA ' HG12 ' A' ' 59' ' ' VAL . 3.6 p-10 -45.65 -33.61 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.488 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 3.1 tp60 -64.12 -56.55 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.488 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.1 tp10 -60.5 -67.11 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -40.99 -48.83 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.772 ' HB2' HG21 ' A' ' 59' ' ' VAL . . . -58.05 -44.67 87.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 41' ' ' GLN . 2.3 m-80 -62.31 -34.15 76.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.591 HD11 ' HE1' ' A' ' 38' ' ' TYR . 17.2 mt -63.93 -51.02 74.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD23 HG21 ' A' ' 54' ' ' VAL . 0.0 OUTLIER -57.68 -33.2 68.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -57.0 -18.58 14.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.268 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 50' ' ' LYS . 8.5 pt-20 -64.48 8.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.609 ' H ' ' C ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 70.35 45.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' O ' ' CD1' ' A' ' 52' ' ' PHE . . . -117.73 -17.48 5.53 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 1.03 ' CZ ' HD22 ' A' ' 24' ' ' LEU . 38.1 m-85 -163.84 158.92 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 0.722 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.64 88.24 4.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG21 HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -129.91 -177.8 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 59' ' ' VAL . . . -169.15 146.39 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 55' ' ' ALA . 24.7 mtm180 -31.56 -44.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -56.53 20.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.56 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.1 m -60.27 -44.67 95.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 110.408 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.772 HG21 ' HB2' ' A' ' 44' ' ' ALA . 2.5 t -61.35 -43.25 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.53 -41.35 76.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -62.45 -45.43 93.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.048 ' CD2' HD12 ' A' ' 25' ' ' ILE . 2.6 m-85 -67.3 -42.05 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 -41.76 -40.65 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -67.95 -40.69 83.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.249 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' TYR . 23.4 mtm -70.2 -38.25 75.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -156.29 98.22 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -63.79 178.39 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 110.981 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.95 170.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 74.56 126.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -168.6 132.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 m 61.0 155.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.372 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -179.16 158.71 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 59.35 149.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.62 16.72 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 12' ' ' SER . 17.9 ttt85 52.21 64.83 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.277 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' CB ' ' A' ' 12' ' ' SER . 1.0 OUTLIER 35.53 -95.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 11' ' ' GLU . 1.4 p 86.18 125.7 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.43 1.082 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.759 ' HB2' HD11 ' A' ' 24' ' ' LEU . . . 39.27 -127.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.256 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 13' ' ' ALA . 72.2 tt0 47.55 101.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.38 3.83 62.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.031 HD13 HD12 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -48.85 163.03 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 p -86.6 159.91 19.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' O ' ' OH ' ' A' ' 62' ' ' TYR . 0.6 OUTLIER -57.44 -34.37 68.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.01 -41.32 48.77 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.894 ' HB3' HD12 ' A' ' 16' ' ' LEU . 18.2 mt-10 -58.23 -31.01 66.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.954 ' CD2' HD21 ' A' ' 16' ' ' LEU . 0.1 OUTLIER -48.04 -41.35 25.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 12.1 ttm -49.39 -57.44 6.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -66.69 -30.63 70.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.031 HD12 HD13 ' A' ' 16' ' ' LEU . 2.2 tt -67.66 -39.93 84.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.782 ' O ' HG23 ' A' ' 29' ' ' VAL . 7.7 mt -67.88 -45.17 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -62.99 -38.02 89.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -58.79 -37.52 76.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.635 ' O ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -67.76 -39.05 81.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 25' ' ' ILE . 1.3 t -78.85 4.28 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' CB ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -58.27 -28.99 65.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -153.17 61.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.644 ' HA ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -62.28 -158.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.529 ' O ' ' CA ' ' A' ' 37' ' ' PRO . 2.1 t0 -158.01 151.22 23.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.7 mttm -77.3 -45.52 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -7.08 53.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -166.79 69.29 1.03 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' CA ' ' O ' ' A' ' 33' ' ' ASP . 18.2 Cg_endo -75.07 157.98 42.17 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.791 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.749 ' O ' HD12 ' A' ' 43' ' ' ILE . 40.1 m-85 -85.75 64.87 8.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.493 ' OG ' ' N ' ' A' ' 40' ' ' ASP . 9.6 t -70.15 -176.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' A' ' 44' ' ' ALA . 1.2 p-10 -59.95 -38.64 83.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.526 ' HG3' ' N ' ' A' ' 42' ' ' GLU . 1.0 OUTLIER -66.15 -46.7 76.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.526 ' N ' ' HG3' ' A' ' 41' ' ' GLN . 4.8 tt0 -64.39 -70.79 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -41.19 -46.33 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.645 ' O ' HD23 ' A' ' 47' ' ' LEU . . . -57.73 -45.6 85.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.514 ' ND2' ' NE2' ' A' ' 41' ' ' GLN . 6.6 m-80 -69.23 -26.52 64.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.626 HD13 HG12 ' A' ' 28' ' ' ILE . 1.3 mt -63.26 -43.39 98.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -48.2 -37.54 16.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -57.41 -32.14 66.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 46' ' ' ILE . 32.6 mt-10 -36.26 -35.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 8.8 tptt -156.11 22.18 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' LEU . . . 56.06 65.64 3.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.62 ' CZ ' ' CB ' ' A' ' 13' ' ' ALA . 9.9 m-30 -83.94 31.07 0.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.76 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.824 ' O ' HD13 ' A' ' 47' ' ' LEU . 17.5 tttp 64.09 -116.86 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.729 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER 50.9 -160.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.784 ' O ' HG23 ' A' ' 59' ' ' VAL . . . 160.02 147.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 55' ' ' ALA . 0.0 OUTLIER -32.13 -47.51 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -54.26 46.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ALA . 1.8 m -60.06 -44.81 94.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.397 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 55' ' ' ALA . 3.1 t -59.27 -43.19 89.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.42 -44.07 92.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -42.7 96.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.729 ' CD2' HD12 ' A' ' 25' ' ' ILE . 1.2 m-85 -63.42 -41.57 98.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.045 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -42.14 33.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -39.92 70.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.6 mtm -68.21 -38.71 82.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 66' ' ' LEU . 3.4 mm? -62.4 -61.94 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.999 . . . . . . . . 0 0 . 1 stop_ save_